Skip to content

Instantly share code, notes, and snippets.

@leelasd

leelasd/Data_CHARM_OPLSAA

Created October 17, 2015 09:47
Show Gist options
  • Save leelasd/383e53ed9db96fe106f2 to your computer and use it in GitHub Desktop.
Save leelasd/383e53ed9db96fe106f2 to your computer and use it in GitHub Desktop.
Download ZIP
Raw
Data_CHARM_OPLSAA
*>>>> CHARMM Parameter file generated by ParmEd <<<<
*
ATOMS
MASS 1 C135 12.01100
MASS 2 C136 12.01100
MASS 3 C137 12.01100
MASS 4 C145 12.01100
MASS 5 C149 12.01100
MASS 6 C157 12.01100
MASS 7 C158 12.01100
MASS 8 C166 12.01100
MASS 9 C206 12.01100
MASS 10 C209 12.01100
MASS 11 C210 12.01100
MASS 12 C214 12.01100
MASS 13 C223 12.01100
MASS 14 C224 12.01100
MASS 15 C235 12.01100
MASS 16 C242 12.01100
MASS 17 C245 12.01100
MASS 18 C246 12.01100
MASS 19 C267 12.01100
MASS 20 C271 12.01100
MASS 21 C274 12.01100
MASS 22 C283 12.01100
MASS 23 C284 12.01100
MASS 24 C285 12.01100
MASS 25 C292 12.01100
MASS 26 C293 12.01100
MASS 27 C295 12.01100
MASS 28 C296 12.01100
MASS 29 C302 12.01100
MASS 30 C307 12.01100
MASS 31 C308 12.01100
MASS 32 C500 12.01100
MASS 33 C501 12.01100
MASS 34 C502 12.01100
MASS 35 C505 12.01100
MASS 36 C506 12.01100
MASS 37 C507 12.01100
MASS 38 C508 12.01100
MASS 39 C509 12.01100
MASS 40 C510 12.01100
MASS 41 C514 12.01100
MASS 42 H140 1.00800
MASS 43 H146 1.00800
MASS 44 H155 1.00800
MASS 45 H168 1.00800
MASS 46 H204 1.00800
MASS 47 H240 1.00800
MASS 48 H241 1.00800
MASS 49 H270 1.00800
MASS 50 H290 1.00800
MASS 51 H301 1.00800
MASS 52 H304 1.00800
MASS 53 H310 1.00800
MASS 54 H504 1.00800
MASS 55 H513 1.00800
MASS 56 N237 14.00700
MASS 57 N238 14.00700
MASS 58 N239 14.00700
MASS 59 N287 14.00700
MASS 60 N300 14.00700
MASS 61 N303 14.00700
MASS 62 N309 14.00700
MASS 63 N503 14.00700
MASS 64 N511 14.00700
MASS 65 N512 14.00700
MASS 66 O154 15.99940
MASS 67 O167 15.99940
MASS 68 O236 15.99940
MASS 69 O268 15.99940
MASS 70 O269 15.99940
MASS 71 O272 15.99940
MASS 72 S200 32.06000
MASS 73 S202 32.06000
MASS 74 S203 32.06000
MASS 75 OT 15.99940
MASS 76 HT 1.00800
MASS 77 SOD 22.98977
MASS 78 CLA 35.45000
BONDS
OT HT 450.00 0.9572
HT HT 0.00 1.5139
S203 S203 166.00 2.0380
C135 C136 268.00 1.5290
C135 C137 268.00 1.5290
C135 C158 268.00 1.5290
C135 C224 268.00 1.5290
C135 C235 317.00 1.5220
C135 C283 268.00 1.5290
C135 C293 268.00 1.5290
C135 H140 340.00 1.0900
C136 C136 268.00 1.5290
C136 C137 268.00 1.5290
C136 C210 268.00 1.5290
C136 C224 268.00 1.5290
C136 C235 317.00 1.5220
C136 C245 268.00 1.5290
C136 C246 268.00 1.5290
C136 C267 317.00 1.5220
C136 C274 268.00 1.5290
C136 C283 268.00 1.5290
C136 C285 268.00 1.5290
C136 C292 268.00 1.5290
C136 C293 268.00 1.5290
C136 C295 268.00 1.5290
C136 C296 268.00 1.5290
C136 C308 268.00 1.5290
C136 C500 317.00 1.4950
C136 H140 340.00 1.0900
C137 C224 268.00 1.5290
C137 C283 268.00 1.5290
C137 C293 268.00 1.5290
C137 H140 340.00 1.0900
C145 C145 469.00 1.4000
C145 C149 317.00 1.5100
C145 C166 469.00 1.4000
C145 C501 469.00 1.4040
C145 C502 469.00 1.4000
C145 H146 367.00 1.0800
C149 C224 268.00 1.5290
C149 C283 268.00 1.5290
C149 C293 268.00 1.5290
C149 H140 340.00 1.0900
C157 C224 268.00 1.5290
C157 C283 268.00 1.5290
C157 C293 268.00 1.5290
C157 H140 340.00 1.0900
C157 O154 320.00 1.4100
C158 C224 268.00 1.5290
C158 C283 268.00 1.5290
C158 C293 268.00 1.5290
C158 H140 340.00 1.0900
C158 O154 320.00 1.4100
C166 O167 450.00 1.3640
C206 C224 268.00 1.5290
C206 C283 268.00 1.5290
C206 C293 268.00 1.5290
C206 H140 340.00 1.0900
C206 S200 222.00 1.8100
C209 H140 340.00 1.0900
C209 S202 222.00 1.8100
C210 H140 340.00 1.0900
C210 S202 222.00 1.8100
C214 C224 268.00 1.5290
C214 C283 268.00 1.5290
C214 C293 268.00 1.5290
C214 H140 340.00 1.0900
C214 S203 222.00 1.8100
C223 C235 317.00 1.5220
C223 H140 340.00 1.0900
C223 N238 337.00 1.4490
C223 C267 317.00 1.5220
C224 C235 317.00 1.5220
C224 C267 317.00 1.5220
C224 C274 268.00 1.5290
C224 C505 268.00 1.5290
C224 H140 340.00 1.0900
C224 N238 337.00 1.4490
C235 C246 317.00 1.5220
C235 C292 317.00 1.5220
C235 C293 317.00 1.5220
C235 C295 317.00 1.5220
C235 N237 490.00 1.3350
C235 N238 490.00 1.3350
C235 N239 490.00 1.3350
C235 O236 570.00 1.2290
C242 H140 340.00 1.0900
C242 N238 337.00 1.4490
C245 H140 340.00 1.0900
C245 N239 337.00 1.4490
C246 H140 340.00 1.0900
C246 N239 337.00 1.4490
C267 O268 450.00 1.3640
C267 O269 570.00 1.2290
C271 C274 317.00 1.5220
C271 C283 317.00 1.5220
C271 C284 317.00 1.5220
C271 C285 317.00 1.5220
C271 O272 656.00 1.2500
C274 C283 268.00 1.5290
C274 C293 268.00 1.5290
C274 H140 340.00 1.0900
C283 C505 268.00 1.5290
C283 H140 340.00 1.0900
C283 N238 337.00 1.4490
C284 H140 340.00 1.0900
C284 N238 337.00 1.4490
C285 H140 340.00 1.0900
C285 N239 337.00 1.4490
C292 H140 340.00 1.0900
C292 N287 367.00 1.4710
C293 C505 268.00 1.5290
C293 H140 340.00 1.0900
C293 N287 367.00 1.4710
C295 H140 340.00 1.0900
C295 N309 367.00 1.4710
C296 H140 340.00 1.0900
C296 N309 367.00 1.4710
C302 N300 481.00 1.3400
C302 N303 481.00 1.3400
C307 C308 268.00 1.5290
C307 H140 340.00 1.0900
C307 N303 337.00 1.4630
C308 H140 340.00 1.0900
C500 C501 388.00 1.4590
C500 C514 546.00 1.3520
C501 C502 447.00 1.4190
C502 N503 428.00 1.3800
C505 C507 317.00 1.5040
C505 C508 317.00 1.5040
C505 C510 317.00 1.5040
C505 H140 340.00 1.0900
C506 H146 367.00 1.0800
C506 N503 477.00 1.3430
C506 N511 488.00 1.3350
C507 C508 520.00 1.3700
C507 H146 367.00 1.0800
C507 N511 410.00 1.3940
C508 H146 367.00 1.0800
C508 N503 427.00 1.3810
C509 H146 367.00 1.0800
C509 N512 477.00 1.3430
C510 C510 520.00 1.3700
C510 H146 367.00 1.0800
C510 N512 427.00 1.3810
C514 H146 367.00 1.0800
C514 N503 427.00 1.3810
H155 O154 553.00 0.9450
H168 O167 553.00 0.9450
H204 S200 274.00 1.3360
H240 N237 434.00 1.0100
H241 N238 434.00 1.0100
H270 O268 553.00 0.9450
H290 N287 434.00 1.0100
H301 N300 434.00 1.0100
H304 N303 434.00 1.0100
H310 N309 434.00 1.0100
H504 N503 434.00 1.0100
H513 N512 434.00 1.0100
ANGLES
HT OT HT 55.00 104.52
H140 C135 H140 33.00 107.80
H140 C136 H140 33.00 107.80
H140 C149 H140 33.00 107.80
H140 C157 H140 33.00 107.80
H140 C206 H140 33.00 107.80
H140 C209 H140 33.00 107.80
H140 C210 H140 33.00 107.80
H140 C214 H140 33.00 107.80
H140 C223 H140 33.00 107.80
H140 C224 H140 33.00 107.80
H140 C242 H140 33.00 107.80
H140 C245 H140 33.00 107.80
H140 C274 H140 33.00 107.80
H140 C284 H140 33.00 107.80
H140 C292 H140 33.00 107.80
H140 C296 H140 33.00 107.80
H140 C307 H140 33.00 107.80
H140 C308 H140 33.00 107.80
H140 C505 H140 33.00 107.80
H290 N287 H290 35.00 109.50
H310 N309 H310 35.00 109.50
C135 C136 C137 58.35 112.70
C135 C136 H140 37.50 110.70
C135 C137 C135 58.35 112.70
C135 C137 C136 58.35 112.70
C135 C137 C224 58.35 112.70
C135 C137 C283 58.35 112.70
C135 C137 C293 58.35 112.70
C135 C137 H140 37.50 110.70
C135 C158 C224 58.35 112.70
C135 C158 C283 58.35 112.70
C135 C158 C293 58.35 112.70
C135 C158 H140 37.50 110.70
C135 C158 O154 50.00 109.50
C135 C224 C235 63.00 111.10
C135 C224 C267 63.00 111.10
C135 C224 H140 37.50 110.70
C135 C224 N238 80.00 109.70
C135 C235 N238 70.00 116.60
C135 C235 N239 70.00 116.60
C135 C235 O236 80.00 120.40
C135 C283 C271 63.00 111.10
C135 C283 H140 37.50 110.70
C135 C283 N238 80.00 109.70
C135 C293 C235 63.00 111.10
C135 C293 H140 37.50 110.70
C135 C293 N287 80.00 111.20
C136 C135 H140 37.50 110.70
C136 C136 C136 58.35 112.70
C136 C136 C224 58.35 112.70
C136 C136 C235 63.00 111.10
C136 C136 C245 58.35 112.70
C136 C136 C246 58.35 112.70
C136 C136 C267 63.00 111.10
C136 C136 C283 58.35 112.70
C136 C136 C285 58.35 112.70
C136 C136 C292 58.35 112.70
C136 C136 C293 58.35 112.70
C136 C136 C295 58.35 112.70
C136 C136 C296 58.35 112.70
C136 C136 H140 37.50 110.70
C136 C137 C224 58.35 112.70
C136 C137 C283 58.35 112.70
C136 C137 C293 58.35 112.70
C136 C137 H140 37.50 110.70
C136 C210 H140 37.50 110.70
C136 C210 S202 50.00 114.70
C136 C224 C235 63.00 111.10
C136 C224 H140 37.50 110.70
C136 C224 N238 80.00 109.70
C136 C235 N237 70.00 116.60
C136 C235 O236 80.00 120.40
C136 C245 H140 37.50 110.70
C136 C245 N239 80.00 109.70
C136 C246 C235 63.00 111.10
C136 C246 H140 37.50 110.70
C136 C246 N239 80.00 109.70
C136 C267 O268 70.00 108.00
C136 C267 O269 80.00 120.40
C136 C274 C271 63.00 111.10
C136 C274 H140 37.50 110.70
C136 C283 C271 63.00 111.10
C136 C283 H140 37.50 110.70
C136 C283 N238 80.00 109.70
C136 C285 C271 63.00 111.10
C136 C285 H140 37.50 110.70
C136 C285 N239 80.00 109.70
C136 C292 H140 37.50 110.70
C136 C292 N287 80.00 111.20
C136 C293 C235 63.00 111.10
C136 C293 H140 37.50 110.70
C136 C293 N287 80.00 111.20
C136 C295 C235 63.00 111.10
C136 C295 H140 37.50 110.70
C136 C295 N309 80.00 111.20
C136 C296 H140 37.50 110.70
C136 C296 N309 80.00 111.20
C136 C308 C307 58.35 112.70
C136 C308 H140 37.50 110.70
C136 C500 C501 70.00 128.60
C136 C500 C514 70.00 125.00
C137 C135 H140 37.50 110.70
C137 C136 C224 58.35 112.70
C137 C136 C283 58.35 112.70
C137 C136 C293 58.35 112.70
C137 C136 H140 37.50 110.70
C137 C224 C235 63.00 111.10
C137 C224 H140 37.50 110.70
C137 C224 N238 80.00 109.70
C137 C283 C271 63.00 111.10
C137 C283 H140 37.50 110.70
C137 C283 N238 80.00 109.70
C137 C293 C235 63.00 111.10
C137 C293 H140 37.50 110.70
C137 C293 N287 80.00 111.20
C145 C145 C145 63.00 120.00
C145 C145 C149 70.00 120.00
C145 C145 C166 63.00 120.00
C145 C145 C501 63.00 120.00
C145 C145 C502 85.00 120.00
C145 C145 H146 35.00 120.00
C145 C149 C224 63.00 114.00
C145 C149 C283 63.00 114.00
C145 C149 C293 63.00 114.00
C145 C149 H140 35.00 109.50
C145 C166 C145 63.00 120.00
C145 C166 O167 70.00 120.00
C145 C501 C500 85.00 134.90
C145 C501 C502 85.00 116.20
C145 C502 C501 85.00 122.70
C145 C502 N503 70.00 132.80
C149 C224 C235 63.00 111.10
C149 C224 H140 37.50 110.70
C149 C224 N238 80.00 109.70
C149 C283 C271 63.00 111.10
C149 C283 H140 37.50 110.70
C149 C283 N238 80.00 109.70
C149 C293 C235 63.00 111.10
C149 C293 H140 37.50 110.70
C149 C293 N287 80.00 111.20
C157 C224 C235 63.00 111.10
C157 C224 H140 37.50 110.70
C157 C224 N238 80.00 109.70
C157 C283 C271 63.00 111.10
C157 C283 H140 37.50 110.70
C157 C283 N238 80.00 109.70
C157 C293 C235 63.00 111.10
C157 C293 H140 37.50 110.70
C157 C293 N287 80.00 111.20
C157 O154 H155 55.00 108.50
C158 C135 H140 37.50 110.70
C158 C224 C235 63.00 111.10
C158 C224 H140 37.50 110.70
C158 C224 N238 80.00 109.70
C158 C283 C271 63.00 111.10
C158 C283 H140 37.50 110.70
C158 C283 N238 80.00 109.70
C158 C293 C235 63.00 111.10
C158 C293 H140 37.50 110.70
C158 C293 N287 80.00 111.20
C158 O154 H155 55.00 108.50
C166 C145 H146 35.00 120.00
C166 O167 H168 35.00 113.00
C206 C224 C235 63.00 111.10
C206 C224 H140 37.50 110.70
C206 C224 N238 80.00 109.70
C206 C283 C271 63.00 111.10
C206 C283 H140 37.50 110.70
C206 C283 N238 80.00 109.70
C206 C293 C235 63.00 111.10
C206 C293 H140 37.50 110.70
C206 C293 N287 80.00 111.20
C206 S200 H204 44.00 96.00
C209 S202 C210 62.00 98.90
C210 C136 C224 58.35 112.70
C210 C136 C283 58.35 112.70
C210 C136 C293 58.35 112.70
C210 C136 H140 37.50 110.70
C214 C224 C235 63.00 111.10
C214 C224 H140 37.50 110.70
C214 C224 N238 80.00 109.70
C214 C283 C271 63.00 111.10
C214 C283 H140 37.50 110.70
C214 C283 N238 80.00 109.70
C214 C293 C235 63.00 111.10
C214 C293 H140 37.50 110.70
C214 C293 N287 80.00 111.20
C214 S203 S203 68.00 103.70
C223 C235 N238 70.00 116.60
C223 C235 N239 70.00 116.60
C223 C235 O236 80.00 120.40
C223 N238 C235 50.00 121.90
C223 N238 H241 38.00 118.40
C224 C135 H140 37.50 110.70
C224 C136 C235 63.00 111.10
C224 C136 C267 63.00 111.10
C224 C136 C274 58.35 112.70
C224 C136 C308 58.35 112.70
C224 C136 C500 63.00 115.60
C224 C136 H140 37.50 110.70
C224 C137 H140 37.50 110.70
C224 C149 H140 37.50 110.70
C224 C157 H140 37.50 110.70
C224 C157 O154 50.00 109.50
C224 C158 H140 37.50 110.70
C224 C158 O154 50.00 109.50
C224 C206 H140 37.50 110.70
C224 C206 S200 50.00 108.60
C224 C214 H140 37.50 110.70
C224 C214 S203 50.00 114.70
C224 C235 N238 70.00 116.60
C224 C235 N239 70.00 116.60
C224 C235 O236 80.00 120.40
C223 C267 O268 70.00 108.00
C224 C267 O268 70.00 108.00
C223 C267 O269 80.00 120.40
C224 C267 O269 80.00 120.40
C224 C274 C271 63.00 111.10
C224 C274 H140 37.50 110.70
C224 C505 C507 63.00 114.00
C224 C505 C508 63.00 114.00
C224 C505 C510 63.00 114.00
C224 C505 H140 37.50 110.70
C224 N238 C235 50.00 121.90
C224 N238 H241 38.00 118.40
C235 C135 H140 35.00 109.50
C235 C136 C283 63.00 111.10
C235 C136 C293 63.00 111.10
C235 C136 H140 35.00 109.50
C235 C223 H140 35.00 109.50
C235 C223 N238 63.00 110.10
C235 C224 C274 63.00 111.10
C235 C224 C505 63.00 111.10
C235 C224 H140 35.00 109.50
C235 C224 N238 63.00 110.10
C235 C246 H140 35.00 109.50
C235 C246 N239 63.00 110.10
C235 C292 H140 35.00 109.50
C235 C292 N287 80.00 111.20
C235 C293 C274 63.00 111.10
C235 C293 C505 63.00 111.10
C235 C293 H140 35.00 109.50
C235 C293 N287 80.00 111.20
C235 C295 H140 35.00 109.50
C235 C295 N309 80.00 111.20
C235 N237 H240 35.00 119.80
C235 N238 C242 50.00 121.90
C235 N238 C283 50.00 121.90
C235 N238 C284 50.00 121.90
C235 N238 H241 35.00 119.80
C235 N239 C245 50.00 121.90
C235 N239 C246 50.00 121.90
C235 N239 C285 50.00 121.90
C242 N238 H241 38.00 118.40
C245 C136 H140 37.50 110.70
C245 N238 C285 50.00 118.00
C245 N239 C246 50.00 118.00
C245 N239 C285 50.00 118.00
C246 C136 H140 37.50 110.70
C246 C235 N238 70.00 116.60
C246 C235 N239 70.00 116.60
C246 C235 O236 80.00 120.40
C267 C136 C283 63.00 111.10
C267 C136 C293 63.00 111.10
C267 C136 H140 35.00 109.50
C267 C223 H140 35.00 109.50
C267 C224 H140 35.00 109.50
C267 C223 N238 63.00 110.10
C267 C224 N238 63.00 110.10
C267 O268 H270 35.00 113.00
C271 C274 C283 63.00 111.10
C271 C274 C293 63.00 111.10
C271 C274 H140 35.00 109.50
C271 C283 C274 63.00 111.10
C271 C283 C505 63.00 111.10
C271 C283 H140 35.00 109.50
C271 C283 N238 63.00 110.10
C271 C284 H140 35.00 109.50
C271 C284 N238 63.00 110.10
C271 C285 H140 35.00 109.50
C271 C285 N239 63.00 110.10
C274 C136 C283 58.35 112.70
C274 C136 C293 58.35 112.70
C274 C136 H140 37.50 110.70
C274 C224 H140 37.50 110.70
C274 C224 N238 80.00 109.70
C274 C271 O272 70.00 117.00
C274 C283 H140 37.50 110.70
C274 C283 N238 80.00 109.70
C274 C293 H140 37.50 110.70
C274 C293 N287 80.00 111.20
C283 C135 H140 37.50 110.70
C283 C136 C308 58.35 112.70
C283 C136 C500 63.00 115.60
C283 C136 H140 37.50 110.70
C283 C137 H140 37.50 110.70
C283 C149 H140 37.50 110.70
C283 C157 H140 37.50 110.70
C283 C157 O154 50.00 109.50
C283 C158 H140 37.50 110.70
C283 C158 O154 50.00 109.50
C283 C206 H140 37.50 110.70
C283 C206 S200 50.00 108.60
C283 C214 H140 37.50 110.70
C283 C214 S203 50.00 114.70
C283 C271 O272 70.00 117.00
C283 C274 H140 37.50 110.70
C283 C505 C507 63.00 114.00
C283 C505 C508 63.00 114.00
C283 C505 C510 63.00 114.00
C283 C505 H140 37.50 110.70
C283 N238 H241 38.00 118.40
C284 C271 O272 70.00 117.00
C284 N238 H241 38.00 118.40
C285 C136 H140 37.50 110.70
C285 C271 O272 70.00 117.00
C292 C136 H140 37.50 110.70
C292 C235 N238 70.00 116.60
C292 C235 N239 70.00 116.60
C292 C235 O236 80.00 120.40
C292 N287 H290 35.00 109.50
C293 C135 H140 37.50 110.70
C293 C136 C308 58.35 112.70
C293 C136 C500 63.00 115.60
C293 C136 H140 37.50 110.70
C293 C137 H140 37.50 110.70
C293 C149 H140 37.50 110.70
C293 C157 H140 37.50 110.70
C293 C157 O154 50.00 109.50
C293 C158 H140 37.50 110.70
C293 C158 O154 50.00 109.50
C293 C206 H140 37.50 110.70
C293 C206 S200 50.00 108.60
C293 C214 H140 37.50 110.70
C293 C214 S203 50.00 114.70
C293 C235 N238 70.00 116.60
C293 C235 N239 70.00 116.60
C293 C235 O236 80.00 120.40
C293 C274 H140 37.50 110.70
C293 C505 C507 63.00 114.00
C293 C505 C508 63.00 114.00
C293 C505 C510 63.00 114.00
C293 C505 H140 37.50 110.70
C293 N287 H290 35.00 109.50
C295 C136 H140 37.50 110.70
C295 C235 N238 70.00 116.60
C295 C235 N239 70.00 116.60
C295 C235 O236 80.00 120.40
C295 N309 C296 50.00 113.00
C295 N309 H310 35.00 109.50
C296 C136 H140 37.50 110.70
C296 N309 H310 35.00 109.50
C302 N300 H301 35.00 120.00
C302 N303 C307 50.00 123.20
C302 N303 H304 35.00 120.00
C307 C308 H140 37.50 110.70
C307 N303 H304 35.00 118.40
C308 C136 H140 37.50 110.70
C308 C307 H140 37.50 110.70
C308 C307 N303 80.00 111.20
C500 C136 H140 35.00 109.50
C500 C501 C502 85.00 108.80
C500 C514 H146 35.00 120.00
C500 C514 N503 70.00 108.70
C501 C145 H146 35.00 120.00
C501 C500 C514 85.00 106.40
C501 C502 N503 70.00 104.40
C502 C145 H146 35.00 120.00
C502 N503 C514 70.00 111.60
C502 N503 H504 35.00 123.10
C505 C224 H140 37.50 110.70
C505 C224 N238 80.00 109.70
C505 C283 H140 37.50 110.70
C505 C283 N238 80.00 109.70
C505 C293 H140 37.50 110.70
C505 C293 N287 80.00 111.20
C505 C507 C508 70.00 130.70
C505 C507 N511 70.00 124.50
C505 C508 C507 70.00 130.70
C505 C508 N503 70.00 121.60
C505 C510 C510 70.00 130.70
C505 C510 N512 70.00 121.60
C506 N503 C508 70.00 109.80
C506 N503 H504 35.00 124.00
C506 N511 C507 70.00 110.00
C507 C505 H140 35.00 109.50
C507 C508 H146 35.00 130.70
C507 C508 N503 70.00 106.30
C508 C505 H140 35.00 109.50
C508 C507 H146 35.00 128.20
C508 C507 N511 70.00 111.00
C508 N503 H504 35.00 124.00
C509 N512 C510 70.00 109.80
C509 N512 H513 35.00 124.00
C510 C505 H140 35.00 109.50
C510 C510 H146 35.00 130.70
C510 C510 N512 70.00 106.30
C510 N512 H513 35.00 124.00
C514 N503 H504 35.00 124.00
H140 C157 O154 35.00 109.50
H140 C158 O154 35.00 109.50
H140 C206 S200 35.00 109.50
H140 C209 S202 35.00 109.50
H140 C210 S202 35.00 109.50
H140 C214 S203 35.00 109.50
H140 C223 N238 35.00 109.50
H140 C224 N238 35.00 109.50
H140 C242 N238 35.00 109.50
H140 C245 N239 35.00 109.50
H140 C246 N239 35.00 109.50
H140 C283 N238 35.00 109.50
H140 C284 N238 35.00 109.50
H140 C285 N239 35.00 109.50
H140 C292 N287 35.00 109.50
H140 C293 N287 35.00 109.50
H140 C295 N309 35.00 109.50
H140 C296 N309 35.00 109.50
H140 C307 N303 35.00 109.50
H146 C506 N503 35.00 120.00
H146 C506 N511 35.00 120.00
H146 C507 N511 35.00 120.00
H146 C508 N503 35.00 121.60
H146 C509 N512 35.00 120.00
H146 C510 N512 35.00 120.00
H146 C514 N503 35.00 121.60
H240 N237 H240 35.00 120.00
H301 N300 H301 35.00 120.00
N237 C235 O236 80.00 122.90
N238 C235 O236 80.00 122.90
N239 C235 O236 80.00 122.90
N300 C302 N300 70.00 120.00
N300 C302 N303 70.00 120.00
N503 C506 N511 70.00 120.00
N512 C509 N512 70.00 120.00
O268 C267 O269 80.00 121.00
O272 C271 O272 80.00 126.00
DIHEDRALS
X C145 C145 X 3.6250 2 180.00
X C145 C166 X 3.6250 2 180.00
X C145 C501 X 3.5000 2 180.00
X C145 C502 X 3.6250 2 180.00
X C302 N300 X 1.9500 2 180.00
X C500 C501 X 1.6750 2 180.00
X C500 C514 X 6.5250 2 180.00
X C501 C502 X 3.0000 2 180.00
X C502 N503 X 1.5250 2 180.00
X C506 N503 X 2.3250 2 180.00
X C506 N511 X 5.0000 2 180.00
X C507 C508 X 5.3750 2 180.00
X C507 N511 X 2.4000 2 180.00
X C509 N512 X 2.3250 2 180.00
X C510 C510 X 5.3750 2 180.00
X C514 N503 X 1.5000 2 180.00
C135 C136 C137 C135 0.6500 1 0.00
C135 C136 C137 C135 -0.1000 2 180.00
C135 C136 C137 C135 0.1000 3 0.00
C135 C136 C137 C224 0.6500 1 0.00
C135 C136 C137 C224 -0.1000 2 180.00
C135 C136 C137 C224 0.1000 3 0.00
C135 C136 C137 C283 0.6500 1 0.00
C135 C136 C137 C283 -0.1000 2 180.00
C135 C136 C137 C283 0.1000 3 0.00
C135 C136 C137 C293 0.6500 1 0.00
C135 C136 C137 C293 -0.1000 2 180.00
C135 C136 C137 C293 0.1000 3 0.00
C135 C136 C137 H140 0.1500 3 0.00
C135 C137 C135 H140 0.1500 3 0.00
C135 C137 C136 C224 0.6500 1 0.00
C135 C137 C136 C224 -0.1000 2 180.00
C135 C137 C136 C224 0.1000 3 0.00
C135 C137 C136 C283 0.6500 1 0.00
C135 C137 C136 C283 -0.1000 2 180.00
C135 C137 C136 C283 0.1000 3 0.00
C135 C137 C136 C293 0.6500 1 0.00
C135 C137 C136 C293 -0.1000 2 180.00
C135 C137 C136 C293 0.1000 3 0.00
C135 C137 C136 H140 0.1500 3 0.00
C135 C137 C224 C235 -0.7110 1 0.00
C135 C137 C224 C235 0.5340 2 180.00
C135 C137 C224 C235 0.0000 3 0.00
C135 C137 C224 H140 0.1500 3 0.00
C135 C137 C224 N238 1.4970 1 0.00
C135 C137 C224 N238 0.1260 2 180.00
C135 C137 C224 N238 0.1500 3 0.00
C135 C137 C283 C271 -0.7110 1 0.00
C135 C137 C283 C271 0.5340 2 180.00
C135 C137 C283 C271 0.0000 3 0.00
C135 C137 C283 H140 0.1500 3 0.00
C135 C137 C283 N238 1.4970 1 0.00
C135 C137 C283 N238 0.1260 2 180.00
C135 C137 C283 N238 0.1500 3 0.00
C135 C137 C293 C235 -0.7110 1 0.00
C135 C137 C293 C235 0.5340 2 180.00
C135 C137 C293 C235 0.0000 3 0.00
C135 C137 C293 H140 0.1500 3 0.00
C135 C137 C293 N287 1.4970 1 0.00
C135 C137 C293 N287 0.1260 2 180.00
C135 C137 C293 N287 0.1500 3 0.00
C135 C158 C224 C235 -0.7110 1 0.00
C135 C158 C224 C235 0.5340 2 180.00
C135 C158 C224 C235 0.0000 3 0.00
C135 C158 C224 H140 0.1500 3 0.00
C135 C158 C224 N238 1.4970 1 0.00
C135 C158 C224 N238 0.1260 2 180.00
C135 C158 C224 N238 0.1500 3 0.00
C135 C158 C283 C271 -0.7110 1 0.00
C135 C158 C283 C271 0.5340 2 180.00
C135 C158 C283 C271 0.0000 3 0.00
C135 C158 C283 H140 0.1500 3 0.00
C135 C158 C283 N238 1.4970 1 0.00
C135 C158 C283 N238 0.1260 2 180.00
C135 C158 C283 N238 0.1500 3 0.00
C135 C158 C293 C235 -0.7110 1 0.00
C135 C158 C293 C235 0.5340 2 180.00
C135 C158 C293 C235 0.0000 3 0.00
C135 C158 C293 H140 0.1500 3 0.00
C135 C158 C293 N287 1.4970 1 0.00
C135 C158 C293 N287 0.1260 2 180.00
C135 C158 C293 N287 0.1500 3 0.00
C135 C158 O154 H155 -0.1780 1 0.00
C135 C158 O154 H155 -0.0870 2 180.00
C135 C158 O154 H155 0.2460 3 0.00
C135 C224 C235 N238 0.8895 1 0.00
C135 C224 C235 N238 0.2095 2 180.00
C135 C224 C235 N238 -0.0550 3 0.00
C135 C224 C235 N239 0.8895 1 0.00
C135 C224 C235 N239 0.2095 2 180.00
C135 C224 C235 N239 -0.0550 3 0.00
C135 C224 C235 O236 0.0000 1 0.00
C135 C224 C267 O268 0.5000 1 0.00
C135 C224 C267 O268 0.2730 2 180.00
C135 C224 C267 O268 0.2250 3 0.00
C135 C224 C267 O269 0.2730 2 180.00
C135 C224 N238 C235 -0.3410 1 0.00
C135 C224 N238 C235 0.0650 2 180.00
C135 C224 N238 C235 0.1690 3 0.00
C135 C224 N238 H241 0.0000 1 0.00
C135 C235 N238 C223 1.1500 1 0.00
C135 C235 N238 C223 3.0445 2 180.00
C135 C235 N238 C224 1.1500 1 0.00
C135 C235 N238 C224 3.0445 2 180.00
C135 C235 N238 H241 2.4500 2 180.00
C135 C235 N239 C245 1.1500 1 0.00
C135 C235 N239 C245 3.0445 2 180.00
C135 C235 N239 C246 1.1500 1 0.00
C135 C235 N239 C246 3.0445 2 180.00
C135 C283 C271 O272 0.4100 2 180.00
C135 C283 N238 C235 -0.3410 1 0.00
C135 C283 N238 C235 0.0650 2 180.00
C135 C283 N238 C235 0.1690 3 0.00
C135 C283 N238 H241 0.0000 1 0.00
C135 C293 C235 N238 0.8895 1 0.00
C135 C293 C235 N238 0.2095 2 180.00
C135 C293 C235 N238 -0.0550 3 0.00
C135 C293 C235 N239 0.8895 1 0.00
C135 C293 C235 N239 0.2095 2 180.00
C135 C293 C235 N239 -0.0550 3 0.00
C135 C293 C235 O236 0.0000 1 0.00
C135 C293 N287 H290 0.1735 3 0.00
C136 C136 C136 C224 0.6500 1 0.00
C136 C136 C136 C224 -0.1000 2 180.00
C136 C136 C136 C224 0.1000 3 0.00
C267 C136 C136 C224 0.6500 1 0.00
C267 C136 C136 C224 -0.1000 2 180.00
C267 C136 C136 C224 0.1000 3 0.00
C136 C136 C136 C283 0.6500 1 0.00
C136 C136 C136 C283 -0.1000 2 180.00
C136 C136 C136 C283 0.1000 3 0.00
C136 C136 C136 C292 0.6500 1 0.00
C136 C136 C136 C292 -0.1000 2 180.00
C136 C136 C136 C292 0.1000 3 0.00
C136 C136 C136 C293 0.6500 1 0.00
C136 C136 C136 C293 -0.1000 2 180.00
C136 C136 C136 C293 0.1000 3 0.00
C136 C136 C136 H140 0.1500 3 0.00
C267 C136 C136 H140 0.1500 3 0.00
C136 C136 C224 C235 -1.1790 1 0.00
C136 C136 C224 C235 0.4555 2 180.00
C136 C136 C224 C235 0.0000 3 0.00
C136 C136 C224 H140 0.1500 3 0.00
C136 C136 C224 N238 0.4420 1 0.00
C136 C136 C224 N238 0.4485 2 180.00
C136 C136 C224 N238 0.4400 3 0.00
C136 C136 C235 N237 1.4220 1 0.00
C136 C136 C235 N237 -0.1805 2 180.00
C136 C136 C235 N237 -0.1625 3 0.00
C136 C136 C235 O236 0.2030 1 0.00
C136 C136 C235 O236 0.6520 2 180.00
C136 C136 C235 O236 0.0695 3 0.00
C136 C136 C245 H140 0.1500 3 0.00
C136 C136 C245 N239 0.4225 1 0.00
C136 C136 C245 N239 -0.4810 2 180.00
C136 C136 C245 N239 0.3565 3 0.00
C136 C136 C246 C235 -0.8755 1 0.00
C136 C136 C246 C235 0.8030 2 180.00
C136 C136 C246 C235 0.0000 3 0.00
C136 C136 C246 H140 0.1500 3 0.00
C136 C136 C246 N239 0.7860 1 0.00
C136 C136 C246 N239 0.0795 2 180.00
C136 C136 C246 N239 0.1000 3 0.00
C136 C136 C267 O268 0.5000 1 0.00
C136 C136 C267 O268 0.2730 2 180.00
C136 C136 C267 O268 0.2250 3 0.00
C136 C136 C267 O269 0.2730 2 180.00
C136 C136 C283 C271 -1.1790 1 0.00
C136 C136 C283 C271 0.4555 2 180.00
C136 C136 C283 C271 0.0000 3 0.00
C136 C136 C283 H140 0.1500 3 0.00
C136 C136 C283 N238 0.4420 1 0.00
C136 C136 C283 N238 0.4485 2 180.00
C136 C136 C283 N238 0.4400 3 0.00
C136 C136 C285 C271 -0.8755 1 0.00
C136 C136 C285 C271 0.8030 2 180.00
C136 C136 C285 C271 0.0000 3 0.00
C136 C136 C285 H140 0.1500 3 0.00
C136 C136 C285 N239 0.7860 1 0.00
C136 C136 C285 N239 0.0795 2 180.00
C136 C136 C285 N239 0.1000 3 0.00
C136 C136 C292 H140 0.1500 3 0.00
C136 C136 C292 N287 1.3660 1 0.00
C136 C136 C292 N287 -0.1145 2 180.00
C136 C136 C292 N287 0.2425 3 0.00
C136 C136 C293 C235 -1.1790 1 0.00
C136 C136 C293 C235 0.4555 2 180.00
C136 C136 C293 C235 0.0000 3 0.00
C136 C136 C293 H140 0.1500 3 0.00
C136 C136 C293 N287 0.4420 1 0.00
C136 C136 C293 N287 0.4485 2 180.00
C136 C136 C293 N287 0.4400 3 0.00
C136 C136 C295 C235 -0.8755 1 0.00
C136 C136 C295 C235 0.8030 2 180.00
C136 C136 C295 C235 0.0000 3 0.00
C136 C136 C295 H140 0.1500 3 0.00
C136 C136 C295 N309 1.3660 1 0.00
C136 C136 C295 N309 -0.1145 2 180.00
C136 C136 C295 N309 0.2425 3 0.00
C136 C136 C296 H140 0.1500 3 0.00
C136 C136 C296 N309 1.3660 1 0.00
C136 C136 C296 N309 -0.1145 2 180.00
C136 C136 C296 N309 0.2425 3 0.00
C136 C137 C135 H140 0.1500 3 0.00
C136 C137 C224 C235 -0.7110 1 0.00
C136 C137 C224 C235 0.5340 2 180.00
C136 C137 C224 C235 0.0000 3 0.00
C136 C137 C224 H140 0.1500 3 0.00
C136 C137 C224 N238 1.4970 1 0.00
C136 C137 C224 N238 0.1260 2 180.00
C136 C137 C224 N238 0.1500 3 0.00
C136 C137 C283 C271 -0.7110 1 0.00
C136 C137 C283 C271 0.5340 2 180.00
C136 C137 C283 C271 0.0000 3 0.00
C136 C137 C283 H140 0.1500 3 0.00
C136 C137 C283 N238 1.4970 1 0.00
C136 C137 C283 N238 0.1260 2 180.00
C136 C137 C283 N238 0.1500 3 0.00
C136 C137 C293 C235 -0.7110 1 0.00
C136 C137 C293 C235 0.5340 2 180.00
C136 C137 C293 C235 0.0000 3 0.00
C136 C137 C293 H140 0.1500 3 0.00
C136 C137 C293 N287 1.4970 1 0.00
C136 C137 C293 N287 0.1260 2 180.00
C136 C137 C293 N287 0.1500 3 0.00
C136 C210 S202 C209 0.4625 1 0.00
C136 C210 S202 C209 -0.2880 2 180.00
C136 C210 S202 C209 0.3385 3 0.00
C136 C224 C235 N238 0.8895 1 0.00
C136 C224 C235 N238 0.2095 2 180.00
C136 C224 C235 N238 -0.0550 3 0.00
C136 C224 C235 N239 0.8895 1 0.00
C136 C224 C235 N239 0.2095 2 180.00
C136 C224 C235 N239 -0.0550 3 0.00
C136 C224 C235 O236 0.0000 1 0.00
C136 C224 N238 C235 -0.3410 1 0.00
C136 C224 N238 C235 0.0650 2 180.00
C136 C224 N238 C235 0.1690 3 0.00
C136 C224 N238 H241 0.0000 1 0.00
C136 C235 N237 H240 2.4500 2 180.00
C136 C245 N239 C235 -0.3410 1 0.00
C136 C245 N239 C235 0.0650 2 180.00
C136 C245 N239 C235 0.1690 3 0.00
C136 C245 N239 C246 1.4295 1 0.00
C136 C245 N239 C246 1.0290 2 180.00
C136 C245 N239 C246 -5.6330 3 0.00
C136 C245 N239 C285 1.4295 1 0.00
C136 C245 N239 C285 1.0290 2 180.00
C136 C245 N239 C285 -5.6330 3 0.00
C136 C246 C235 N238 2.5145 1 0.00
C136 C246 C235 N238 0.3595 2 180.00
C136 C246 C235 N238 1.1200 3 0.00
C136 C246 C235 N239 2.5145 1 0.00
C136 C246 C235 N239 0.3595 2 180.00
C136 C246 C235 N239 1.1200 3 0.00
C136 C246 C235 O236 0.0000 1 0.00
C136 C246 N239 C235 -0.3410 1 0.00
C136 C246 N239 C235 0.0650 2 180.00
C136 C246 N239 C235 0.1690 3 0.00
C136 C246 N239 C245 2.3765 1 0.00
C136 C246 N239 C245 -0.3670 2 180.00
C136 C267 O268 H270 0.7500 1 0.00
C136 C267 O268 H270 2.7500 2 180.00
C136 C274 C271 O272 0.2730 2 180.00
C136 C283 C271 O272 0.4100 2 180.00
C136 C283 N238 C235 -0.3410 1 0.00
C136 C283 N238 C235 0.0650 2 180.00
C136 C283 N238 C235 0.1690 3 0.00
C136 C283 N238 H241 0.0000 1 0.00
C136 C285 C271 O272 0.4100 2 180.00
C136 C285 N239 C235 -0.3410 1 0.00
C136 C285 N239 C235 0.0650 2 180.00
C136 C285 N239 C235 0.1690 3 0.00
C136 C285 N239 C245 2.3765 1 0.00
C136 C285 N239 C245 -0.3670 2 180.00
C136 C292 N287 H290 0.1735 3 0.00
C136 C293 C235 N238 0.8895 1 0.00
C136 C293 C235 N238 0.2095 2 180.00
C136 C293 C235 N238 -0.0550 3 0.00
C136 C293 C235 N239 0.8895 1 0.00
C136 C293 C235 N239 0.2095 2 180.00
C136 C293 C235 N239 -0.0550 3 0.00
C136 C293 C235 O236 0.0000 1 0.00
C136 C293 N287 H290 0.1735 3 0.00
C136 C295 C235 N238 2.5145 1 0.00
C136 C295 C235 N238 0.3595 2 180.00
C136 C295 C235 N238 1.1200 3 0.00
C136 C295 C235 N239 2.5145 1 0.00
C136 C295 C235 N239 0.3595 2 180.00
C136 C295 C235 N239 1.1200 3 0.00
C136 C295 C235 O236 0.0000 1 0.00
C136 C295 N309 C296 0.7189 1 0.00
C136 C295 N309 C296 -0.0619 2 180.00
C136 C295 N309 C296 0.1320 3 0.00
C136 C295 N309 H310 0.1735 3 0.00
C136 C296 N309 C295 0.7189 1 0.00
C136 C296 N309 C295 -0.0619 2 180.00
C136 C296 N309 C295 0.1320 3 0.00
C136 C296 N309 H310 0.1735 3 0.00
C136 C308 C307 H140 0.1500 3 0.00
C136 C308 C307 N303 1.3660 1 0.00
C136 C308 C307 N303 -0.1145 2 180.00
C136 C308 C307 N303 0.2425 3 0.00
C137 C136 C135 H140 0.1500 3 0.00
C137 C136 C224 C235 -0.8755 1 0.00
C137 C136 C224 C235 0.8030 2 180.00
C137 C136 C224 C235 0.0000 3 0.00
C137 C136 C224 H140 0.1500 3 0.00
C137 C136 C224 N238 0.7860 1 0.00
C137 C136 C224 N238 0.0795 2 180.00
C137 C136 C224 N238 0.1000 3 0.00
C137 C136 C283 C271 -0.8755 1 0.00
C137 C136 C283 C271 0.8030 2 180.00
C137 C136 C283 C271 0.0000 3 0.00
C137 C136 C283 H140 0.1500 3 0.00
C137 C136 C283 N238 0.7860 1 0.00
C137 C136 C283 N238 0.0795 2 180.00
C137 C136 C283 N238 0.1000 3 0.00
C137 C136 C293 C235 -0.8755 1 0.00
C137 C136 C293 C235 0.8030 2 180.00
C137 C136 C293 C235 0.0000 3 0.00
C137 C136 C293 H140 0.1500 3 0.00
C137 C136 C293 N287 0.7860 1 0.00
C137 C136 C293 N287 0.0795 2 180.00
C137 C136 C293 N287 0.1000 3 0.00
C137 C224 C235 N238 0.8895 1 0.00
C137 C224 C235 N238 0.2095 2 180.00
C137 C224 C235 N238 -0.0550 3 0.00
C137 C224 C235 N239 0.8895 1 0.00
C137 C224 C235 N239 0.2095 2 180.00
C137 C224 C235 N239 -0.0550 3 0.00
C137 C224 C235 O236 0.0000 1 0.00
C137 C224 N238 C235 -0.3410 1 0.00
C137 C224 N238 C235 0.0650 2 180.00
C137 C224 N238 C235 0.1690 3 0.00
C137 C224 N238 H241 0.0000 1 0.00
C137 C283 C271 O272 0.4100 2 180.00
C137 C283 N238 C235 -0.3410 1 0.00
C137 C283 N238 C235 0.0650 2 180.00
C137 C283 N238 C235 0.1690 3 0.00
C137 C283 N238 H241 0.0000 1 0.00
C137 C293 C235 N238 0.8895 1 0.00
C137 C293 C235 N238 0.2095 2 180.00
C137 C293 C235 N238 -0.0550 3 0.00
C137 C293 C235 N239 0.8895 1 0.00
C137 C293 C235 N239 0.2095 2 180.00
C137 C293 C235 N239 -0.0550 3 0.00
C137 C293 C235 O236 0.0000 1 0.00
C137 C293 N287 H290 0.1735 3 0.00
C145 C145 C149 C224 0.0000 1 0.00
C145 C145 C149 C283 0.0000 1 0.00
C145 C145 C149 C293 0.0000 1 0.00
C145 C145 C149 H140 0.0000 1 0.00
C145 C149 C224 C235 -0.7030 1 0.00
C145 C149 C224 C235 0.8885 2 180.00
C145 C149 C224 C235 0.0000 3 0.00
C145 C149 C224 H140 0.2310 3 0.00
C145 C149 C224 N238 0.8560 1 0.00
C145 C149 C224 N238 0.3625 2 180.00
C145 C149 C224 N238 0.1830 3 0.00
C145 C149 C283 C271 -0.7030 1 0.00
C145 C149 C283 C271 0.8885 2 180.00
C145 C149 C283 C271 0.0000 3 0.00
C145 C149 C283 H140 0.2310 3 0.00
C145 C149 C283 N238 0.8560 1 0.00
C145 C149 C283 N238 0.3625 2 180.00
C145 C149 C283 N238 0.1830 3 0.00
C145 C149 C293 C235 -0.7030 1 0.00
C145 C149 C293 C235 0.8885 2 180.00
C145 C149 C293 C235 0.0000 3 0.00
C145 C149 C293 H140 0.2310 3 0.00
C145 C149 C293 N287 0.8560 1 0.00
C145 C149 C293 N287 0.3625 2 180.00
C145 C149 C293 N287 0.1830 3 0.00
C145 C166 C145 H146 3.6250 2 180.00
C145 C166 O167 H168 0.8410 2 180.00
C145 C501 C500 C514 1.6750 2 180.00
C145 C502 C501 C500 3.0000 2 180.00
C149 C224 C235 N238 0.8895 1 0.00
C149 C224 C235 N238 0.2095 2 180.00
C149 C224 C235 N238 -0.0550 3 0.00
C149 C224 C235 N239 0.8895 1 0.00
C149 C224 C235 N239 0.2095 2 180.00
C149 C224 C235 N239 -0.0550 3 0.00
C149 C224 C235 O236 0.0000 1 0.00
C149 C224 N238 C235 -0.3410 1 0.00
C149 C224 N238 C235 0.0650 2 180.00
C149 C224 N238 C235 0.1690 3 0.00
C149 C224 N238 H241 0.0000 1 0.00
C149 C283 C271 O272 0.4100 2 180.00
C149 C283 N238 C235 -0.3410 1 0.00
C149 C283 N238 C235 0.0650 2 180.00
C149 C283 N238 C235 0.1690 3 0.00
C149 C283 N238 H241 0.0000 1 0.00
C149 C293 C235 N238 0.8895 1 0.00
C149 C293 C235 N238 0.2095 2 180.00
C149 C293 C235 N238 -0.0550 3 0.00
C149 C293 C235 N239 0.8895 1 0.00
C149 C293 C235 N239 0.2095 2 180.00
C149 C293 C235 N239 -0.0550 3 0.00
C149 C293 C235 O236 0.0000 1 0.00
C149 C293 N287 H290 0.1735 3 0.00
C157 C224 C235 N238 0.8895 1 0.00
C157 C224 C235 N238 0.2095 2 180.00
C157 C224 C235 N238 -0.0550 3 0.00
C157 C224 C235 N239 0.8895 1 0.00
C157 C224 C235 N239 0.2095 2 180.00
C157 C224 C235 N239 -0.0550 3 0.00
C157 C224 C235 O236 0.0000 1 0.00
C157 C224 N238 C235 -0.3410 1 0.00
C157 C224 N238 C235 0.0650 2 180.00
C157 C224 N238 C235 0.1690 3 0.00
C157 C224 N238 H241 0.0000 1 0.00
C157 C283 C271 O272 0.4100 2 180.00
C157 C283 N238 C235 -0.3410 1 0.00
C157 C283 N238 C235 0.0650 2 180.00
C157 C283 N238 C235 0.1690 3 0.00
C157 C283 N238 H241 0.0000 1 0.00
C157 C293 C235 N238 0.8895 1 0.00
C157 C293 C235 N238 0.2095 2 180.00
C157 C293 C235 N238 -0.0550 3 0.00
C157 C293 C235 O236 0.0000 1 0.00
C157 C293 N287 H290 0.1735 3 0.00
C158 C224 C235 N238 0.8895 1 0.00
C158 C224 C235 N238 0.2095 2 180.00
C158 C224 C235 N238 -0.0550 3 0.00
C158 C224 C235 N239 0.8895 1 0.00
C158 C224 C235 N239 0.2095 2 180.00
C158 C224 C235 N239 -0.0550 3 0.00
C158 C224 C235 O236 0.0000 1 0.00
C158 C224 N238 C235 -0.3410 1 0.00
C158 C224 N238 C235 0.0650 2 180.00
C158 C224 N238 C235 0.1690 3 0.00
C158 C224 N238 H241 0.0000 1 0.00
C158 C283 C271 O272 0.4100 2 180.00
C158 C283 N238 C235 -0.3410 1 0.00
C158 C283 N238 C235 0.0650 2 180.00
C158 C283 N238 C235 0.1690 3 0.00
C158 C283 N238 H241 0.0000 1 0.00
C158 C293 C235 N238 0.8895 1 0.00
C158 C293 C235 N238 0.2095 2 180.00
C158 C293 C235 N238 -0.0550 3 0.00
C158 C293 C235 N239 0.8895 1 0.00
C158 C293 C235 N239 0.2095 2 180.00
C158 C293 C235 N239 -0.0550 3 0.00
C158 C293 C235 O236 0.0000 1 0.00
C158 C293 N287 H290 0.1735 3 0.00
C206 C224 C235 N238 0.8895 1 0.00
C206 C224 C235 N238 0.2095 2 180.00
C206 C224 C235 N238 -0.0550 3 0.00
C206 C224 C235 N239 0.8895 1 0.00
C206 C224 C235 N239 0.2095 2 180.00
C206 C224 C235 N239 -0.0550 3 0.00
C206 C224 C235 O236 0.0000 1 0.00
C206 C224 N238 C235 -0.3410 1 0.00
C206 C224 N238 C235 0.0650 2 180.00
C206 C224 N238 C235 0.1690 3 0.00
C206 C224 N238 H241 0.0000 1 0.00
C206 C283 C271 O272 0.4100 2 180.00
C206 C283 N238 C235 -0.3410 1 0.00
C206 C283 N238 C235 0.0650 2 180.00
C206 C283 N238 C235 0.1690 3 0.00
C206 C283 N238 H241 0.0000 1 0.00
C206 C293 C235 N238 0.8895 1 0.00
C206 C293 C235 N238 0.2095 2 180.00
C206 C293 C235 N238 -0.0550 3 0.00
C206 C293 C235 N239 0.8895 1 0.00
C206 C293 C235 N239 0.2095 2 180.00
C206 C293 C235 N239 -0.0550 3 0.00
C206 C293 C235 O236 0.0000 1 0.00
C206 C293 N287 H290 0.1735 3 0.00
C209 S202 C210 H140 0.3235 3 0.00
C210 C136 C224 C235 -0.4555 1 0.00
C210 C136 C224 C235 0.3495 2 180.00
C210 C136 C224 C235 0.0000 3 0.00
C210 C136 C224 H140 0.1500 3 0.00
C210 C136 C224 N238 0.1070 1 0.00
C210 C136 C224 N238 0.2705 2 180.00
C210 C136 C224 N238 0.1960 3 0.00
C210 C136 C283 C271 -0.4555 1 0.00
C210 C136 C283 C271 0.3495 2 180.00
C210 C136 C283 C271 0.0000 3 0.00
C210 C136 C283 H140 0.1500 3 0.00
C210 C136 C283 N238 0.1070 1 0.00
C210 C136 C283 N238 0.2705 2 180.00
C210 C136 C283 N238 0.1960 3 0.00
C210 C136 C293 C235 -0.4555 1 0.00
C210 C136 C293 C235 0.3495 2 180.00
C210 C136 C293 C235 0.0000 3 0.00
C210 C136 C293 H140 0.1500 3 0.00
C210 C136 C293 N287 0.1070 1 0.00
C210 C136 C293 N287 0.2705 2 180.00
C210 C136 C293 N287 0.1960 3 0.00
C210 S202 C209 H140 0.3235 3 0.00
C214 C224 C235 N238 0.8895 1 0.00
C214 C224 C235 N238 0.2095 2 180.00
C214 C224 C235 N238 -0.0550 3 0.00
C214 C224 C235 N239 0.8895 1 0.00
C214 C224 C235 N239 0.2095 2 180.00
C214 C224 C235 N239 -0.0550 3 0.00
C214 C224 C235 O236 0.0000 1 0.00
C214 C224 N238 C235 -0.3410 1 0.00
C214 C224 N238 C235 0.0650 2 180.00
C214 C224 N238 C235 0.1690 3 0.00
C214 C224 N238 H241 0.0000 1 0.00
C214 C283 C271 O272 0.4100 2 180.00
C214 C283 N238 C235 -0.3410 1 0.00
C214 C283 N238 C235 0.0650 2 180.00
C214 C283 N238 C235 0.1690 3 0.00
C214 C283 N238 H241 0.0000 1 0.00
C214 C293 C235 N238 0.8895 1 0.00
C214 C293 C235 N238 0.2095 2 180.00
C214 C293 C235 N238 -0.0550 3 0.00
C214 C293 C235 N239 0.8895 1 0.00
C214 C293 C235 N239 0.2095 2 180.00
C214 C293 C235 N239 -0.0550 3 0.00
C214 C293 C235 O236 0.0000 1 0.00
C214 C293 N287 H290 0.1735 3 0.00
C214 S203 S203 C214 -3.7070 2 180.00
C214 S203 S203 C214 0.8525 3 0.00
C223 C235 N238 C223 1.1500 1 0.00
C223 C235 N238 C223 3.0445 2 180.00
C223 C235 N238 C224 1.1500 1 0.00
C223 C235 N238 C224 3.0445 2 180.00
C223 C235 N238 C242 1.1500 1 0.00
C223 C235 N238 C242 3.0445 2 180.00
C223 C235 N238 C283 1.1500 1 0.00
C223 C235 N238 C283 3.0445 2 180.00
C295 C235 N238 C283 1.1500 1 0.00
C295 C235 N238 C283 3.0445 2 180.00
C223 C235 N238 C284 1.1500 1 0.00
C223 C235 N238 C284 3.0445 2 180.00
C223 C235 N238 H241 2.4500 2 180.00
C223 C235 N239 C245 1.1500 1 0.00
C223 C235 N239 C245 3.0445 2 180.00
C223 C235 N239 C246 1.1500 1 0.00
C223 C235 N239 C246 3.0445 2 180.00
C223 C235 N239 C285 1.1500 1 0.00
C223 C235 N239 C285 3.0445 2 180.00
C223 N238 C235 C224 1.1500 1 0.00
C223 N238 C235 C224 3.0445 2 180.00
C223 N238 C235 C246 1.1500 1 0.00
C223 N238 C235 C246 3.0445 2 180.00
C223 N238 C235 C292 1.1500 1 0.00
C223 N238 C235 C292 3.0445 2 180.00
C223 N238 C235 C293 1.1500 1 0.00
C223 N238 C235 C293 3.0445 2 180.00
C223 N238 C235 C295 1.1500 1 0.00
C223 N238 C235 C295 3.0445 2 180.00
C223 N238 C235 O236 3.0445 2 180.00
C224 C136 C136 C235 -0.6335 1 0.00
C224 C136 C136 C235 0.2395 2 180.00
C224 C136 C136 C235 -0.2430 3 0.00
C224 C136 C136 H140 0.1500 3 0.00
C224 C136 C137 H140 0.1500 3 0.00
C224 C136 C210 H140 0.1500 3 0.00
C224 C136 C210 S202 -0.7825 1 0.00
C224 C136 C210 S202 -0.0045 2 180.00
C224 C136 C210 S202 -0.2250 3 0.00
C224 C136 C235 N237 0.7470 1 0.00
C224 C136 C235 N237 -0.2555 2 180.00
C224 C136 C235 N237 0.0625 3 0.00
C224 C136 C235 O236 0.8280 1 0.00
C224 C136 C235 O236 0.6520 2 180.00
C224 C136 C235 O236 0.2195 3 0.00
C224 C136 C267 O268 0.5000 1 0.00
C224 C136 C267 O268 0.2730 2 180.00
C224 C136 C267 O268 0.2250 3 0.00
C224 C136 C267 O269 0.2730 2 180.00
C224 C136 C274 C271 -0.4425 1 0.00
C224 C136 C274 C271 0.5125 2 180.00
C224 C136 C274 C271 -0.6465 3 0.00
C224 C136 C274 H140 0.1500 3 0.00
C224 C136 C308 C307 0.6500 1 0.00
C224 C136 C308 C307 -0.1000 2 180.00
C224 C136 C308 C307 0.1000 3 0.00
C224 C136 C308 H140 0.1500 3 0.00
C224 C136 C500 C501 0.0000 1 0.00
C224 C136 C500 C514 -0.3570 1 0.00
C224 C137 C135 H140 0.1500 3 0.00
C224 C137 C136 H140 0.1500 3 0.00
C224 C157 O154 H155 -0.1780 1 0.00
C224 C157 O154 H155 -0.0870 2 180.00
C224 C157 O154 H155 0.2460 3 0.00
C224 C158 C135 H140 0.1500 3 0.00
C224 C158 O154 H155 -0.1780 1 0.00
C224 C158 O154 H155 -0.0870 2 180.00
C224 C158 O154 H155 0.2460 3 0.00
C224 C206 S200 H204 -0.3795 1 0.00
C224 C206 S200 H204 -0.1410 2 180.00
C224 C206 S200 H204 0.3400 3 0.00
C224 C214 S203 S203 0.9705 1 0.00
C224 C214 S203 S203 -0.4180 2 180.00
C224 C214 S203 S203 0.4675 3 0.00
C224 C235 N238 C224 1.1500 1 0.00
C224 C235 N238 C224 3.0445 2 180.00
C224 C235 N238 C242 1.1500 1 0.00
C224 C235 N238 C242 3.0445 2 180.00
C224 C235 N238 C283 1.1500 1 0.00
C224 C235 N238 C283 3.0445 2 180.00
C224 C235 N238 C284 1.1500 1 0.00
C224 C235 N238 C284 3.0445 2 180.00
C224 C235 N238 H241 2.4500 2 180.00
C224 C235 N239 C245 1.1500 1 0.00
C224 C235 N239 C245 3.0445 2 180.00
C224 C235 N239 C246 1.1500 1 0.00
C224 C235 N239 C246 3.0445 2 180.00
C224 C235 N239 C285 1.1500 1 0.00
C224 C235 N239 C285 3.0445 2 180.00
C223 C267 O268 H270 0.7500 1 0.00
C223 C267 O268 H270 2.7500 2 180.00
C224 C267 O268 H270 0.7500 1 0.00
C224 C267 O268 H270 2.7500 2 180.00
C224 C274 C271 O272 1.2500 1 0.00
C224 C274 C271 O272 0.5000 2 180.00
C224 C274 C271 O272 0.6750 3 0.00
C224 C505 C507 C508 0.0000 1 0.00
C224 C505 C507 N511 -0.2800 1 0.00
C224 C505 C507 N511 -0.3700 2 180.00
C224 C505 C507 N511 0.1745 3 0.00
C224 C505 C508 C507 0.0000 1 0.00
C224 C505 C508 N503 -0.2800 1 0.00
C224 C505 C508 N503 -0.3700 2 180.00
C224 C505 C508 N503 0.1745 3 0.00
C224 C505 C510 C510 0.0000 1 0.00
C224 C505 C510 N512 -1.9950 1 0.00
C224 C505 C510 N512 0.8400 2 180.00
C224 C505 C510 N512 0.1450 3 0.00
C224 N238 C235 C246 1.1500 1 0.00
C224 N238 C235 C246 3.0445 2 180.00
C224 N238 C235 C292 1.1500 1 0.00
C224 N238 C235 C292 3.0445 2 180.00
C224 N238 C235 C293 1.1500 1 0.00
C224 N238 C235 C293 3.0445 2 180.00
C224 N238 C235 C295 1.1500 1 0.00
C224 N238 C235 C295 3.0445 2 180.00
C224 N238 C235 O236 3.0445 2 180.00
C235 C136 C136 C283 -0.6335 1 0.00
C235 C136 C136 C283 0.2395 2 180.00
C235 C136 C136 C283 -0.2430 3 0.00
C235 C136 C136 C293 -0.6335 1 0.00
C235 C136 C136 C293 0.2395 2 180.00
C235 C136 C136 C293 -0.2430 3 0.00
C235 C136 C136 H140 -0.0500 3 0.00
C235 C136 C224 C235 0.2990 1 0.00
C235 C136 C224 C235 0.7790 2 180.00
C235 C136 C224 C235 0.1275 3 0.00
C235 C136 C224 H140 0.1500 3 0.00
C235 C136 C224 N238 -2.7505 1 0.00
C235 C136 C224 N238 0.7635 2 180.00
C235 C136 C224 N238 0.0000 3 0.00
C235 C136 C283 C271 0.2990 1 0.00
C235 C136 C283 C271 0.7790 2 180.00
C235 C136 C283 C271 0.1275 3 0.00
C235 C136 C283 H140 0.1500 3 0.00
C235 C136 C283 N238 -2.7505 1 0.00
C235 C136 C283 N238 0.7635 2 180.00
C235 C136 C283 N238 0.0000 3 0.00
C235 C136 C293 C235 0.2990 1 0.00
C235 C136 C293 C235 0.7790 2 180.00
C235 C136 C293 C235 0.1275 3 0.00
C235 C136 C293 H140 0.1500 3 0.00
C235 C136 C293 N287 -2.7505 1 0.00
C235 C136 C293 N287 0.7635 2 180.00
C235 C136 C293 N287 0.0000 3 0.00
C235 C223 N238 C235 -1.2555 1 0.00
C235 C223 N238 C235 0.1050 2 180.00
C235 C223 N238 C235 -0.1000 3 0.00
C235 C223 N238 H241 0.0000 1 0.00
C235 C224 C135 H140 -0.0380 3 0.00
C235 C224 C136 C267 0.2990 1 0.00
C235 C224 C136 C267 0.7790 2 180.00
C235 C224 C136 C267 0.1275 3 0.00
C235 C224 C136 C274 -0.8820 1 0.00
C235 C224 C136 C274 0.3500 2 180.00
C235 C224 C136 C274 0.0000 3 0.00
C235 C224 C136 C308 -0.9855 1 0.00
C235 C224 C136 C308 0.3850 2 180.00
C235 C224 C136 C308 0.0000 3 0.00
C235 C224 C136 C500 -0.2530 1 0.00
C235 C224 C136 C500 0.4875 2 180.00
C235 C224 C136 C500 0.0000 3 0.00
C235 C224 C136 H140 -0.0380 3 0.00
C235 C224 C137 H140 -0.0380 3 0.00
C235 C224 C149 H140 -0.0380 3 0.00
C235 C224 C157 H140 -0.0380 3 0.00
C235 C224 C157 O154 -2.8965 1 0.00
C235 C224 C157 O154 0.2025 2 180.00
C235 C224 C157 O154 0.0000 3 0.00
C235 C224 C158 H140 -0.0380 3 0.00
C235 C224 C158 O154 -2.8965 1 0.00
C235 C224 C158 O154 0.2025 2 180.00
C235 C224 C158 O154 0.0000 3 0.00
C235 C224 C206 H140 -0.0380 3 0.00
C235 C224 C206 S200 -1.6615 1 0.00
C235 C224 C206 S200 0.2645 2 180.00
C235 C224 C206 S200 0.0000 3 0.00
C235 C224 C214 H140 -0.0380 3 0.00
C235 C224 C214 S203 -1.6615 1 0.00
C235 C224 C214 S203 0.2645 2 180.00
C235 C224 C214 S203 0.0000 3 0.00
C235 C224 C274 C271 0.7715 1 0.00
C235 C224 C274 C271 0.3480 2 180.00
C235 C224 C274 C271 0.0000 3 0.00
C235 C224 C274 H140 -0.0380 3 0.00
C235 C224 C505 C507 -0.6410 1 0.00
C235 C224 C505 C507 0.8225 2 180.00
C235 C224 C505 C507 -0.0085 3 0.00
C235 C224 C505 C508 -0.6410 1 0.00
C235 C224 C505 C508 0.8225 2 180.00
C235 C224 C505 C508 -0.0085 3 0.00
C235 C224 C505 C510 -0.8540 1 0.00
C235 C224 C505 C510 0.7580 2 180.00
C235 C224 C505 C510 -0.2510 3 0.00
C235 C224 C505 H140 -0.0380 3 0.00
C235 C224 N238 C235 -1.2555 1 0.00
C235 C224 N238 C235 0.1050 2 180.00
C235 C224 N238 C235 -0.1000 3 0.00
C235 C224 N238 H241 0.0000 1 0.00
C235 N238 C223 C267 -1.2555 1 0.00
C235 N238 C223 C267 0.1050 2 180.00
C235 N238 C223 C267 -0.1000 3 0.00
C235 N238 C224 C267 -1.2555 1 0.00
C235 N238 C224 C267 0.1050 2 180.00
C235 N238 C224 C267 -0.1000 3 0.00
C235 C246 C136 H140 -0.0380 3 0.00
C235 C246 N239 C235 -1.2555 1 0.00
C235 C246 N239 C235 0.1050 2 180.00
C235 C246 N239 C235 -0.1000 3 0.00
C235 C246 N239 C245 -0.8685 1 0.00
C235 C246 N239 C245 0.6255 2 180.00
C235 C246 N239 C245 -1.7505 3 0.00
C235 C292 N287 H290 0.1735 3 0.00
C235 C293 C135 H140 -0.0380 3 0.00
C235 C293 C136 C274 -0.8820 1 0.00
C235 C293 C136 C274 0.3500 2 180.00
C235 C293 C136 C274 0.0000 3 0.00
C235 C293 C136 C308 -0.9855 1 0.00
C235 C293 C136 C308 0.3850 2 180.00
C235 C293 C136 C308 0.0000 3 0.00
C235 C293 C136 C500 -0.2530 1 0.00
C235 C293 C136 C500 0.4875 2 180.00
C235 C293 C136 C500 0.0000 3 0.00
C235 C293 C136 H140 -0.0380 3 0.00
C235 C293 C137 H140 -0.0380 3 0.00
C235 C293 C149 H140 -0.0380 3 0.00
C235 C293 C157 H140 -0.0380 3 0.00
C235 C293 C157 O154 -2.8965 1 0.00
C235 C293 C157 O154 0.2025 2 180.00
C235 C293 C157 O154 0.0000 3 0.00
C235 C293 C158 H140 -0.0380 3 0.00
C235 C293 C158 O154 -2.8965 1 0.00
C235 C293 C158 O154 0.2025 2 180.00
C235 C293 C158 O154 0.0000 3 0.00
C235 C293 C206 H140 -0.0380 3 0.00
C235 C293 C206 S200 -1.6615 1 0.00
C235 C293 C206 S200 0.2645 2 180.00
C235 C293 C206 S200 0.0000 3 0.00
C235 C293 C214 H140 -0.0380 3 0.00
C235 C293 C214 S203 -1.6615 1 0.00
C235 C293 C214 S203 0.2645 2 180.00
C235 C293 C214 S203 0.0000 3 0.00
C235 C293 C274 C271 0.7715 1 0.00
C235 C293 C274 C271 0.3480 2 180.00
C235 C293 C274 C271 0.0000 3 0.00
C235 C293 C274 H140 -0.0380 3 0.00
C235 C293 C505 C507 -0.6410 1 0.00
C235 C293 C505 C507 0.8225 2 180.00
C235 C293 C505 C507 -0.0085 3 0.00
C235 C293 C505 C508 -0.6410 1 0.00
C235 C293 C505 C508 0.8225 2 180.00
C235 C293 C505 C508 -0.0085 3 0.00
C235 C293 C505 C510 -0.8540 1 0.00
C235 C293 C505 C510 0.7580 2 180.00
C235 C293 C505 C510 -0.2510 3 0.00
C235 C293 C505 H140 -0.0380 3 0.00
C235 C293 N287 H290 0.1735 3 0.00
C235 C295 C136 H140 -0.0380 3 0.00
C235 C295 N309 C296 0.7189 1 0.00
C235 C295 N309 C296 -0.0619 2 180.00
C235 C295 N309 C296 0.1320 3 0.00
C235 C295 N309 H310 0.1735 3 0.00
C235 N238 C223 H140 0.0000 1 0.00
C235 N238 C224 C274 -0.3410 1 0.00
C235 N238 C224 C274 0.0650 2 180.00
C235 N238 C224 C274 0.1690 3 0.00
C235 N238 C224 C505 -0.3410 1 0.00
C235 N238 C224 C505 0.0650 2 180.00
C235 N238 C224 C505 0.1690 3 0.00
C235 N238 C224 H140 0.0000 1 0.00
C235 N238 C242 H140 0.0000 1 0.00
C235 N238 C283 C271 -1.2555 1 0.00
C235 N238 C283 C271 0.1050 2 180.00
C235 N238 C283 C271 -0.1000 3 0.00
C235 N238 C283 C274 -0.3410 1 0.00
C235 N238 C283 C274 0.0650 2 180.00
C235 N238 C283 C274 0.1690 3 0.00
C235 N238 C283 C505 -0.3410 1 0.00
C235 N238 C283 C505 0.0650 2 180.00
C235 N238 C283 C505 0.1690 3 0.00
C235 N238 C283 H140 0.0000 1 0.00
C235 N238 C284 C271 -1.2555 1 0.00
C235 N238 C284 C271 0.1050 2 180.00
C235 N238 C284 C271 -0.1000 3 0.00
C235 N238 C284 H140 0.0000 1 0.00
C235 N239 C245 H140 0.0000 1 0.00
C235 N239 C246 H140 0.0000 1 0.00
C235 N239 C285 C271 -1.2555 1 0.00
C235 N239 C285 C271 0.1050 2 180.00
C235 N239 C285 C271 -0.1000 3 0.00
C235 N239 C285 H140 0.0000 1 0.00
C242 N238 C235 C246 1.1500 1 0.00
C242 N238 C235 C246 3.0445 2 180.00
C242 N238 C235 O236 3.0445 2 180.00
C245 C136 C136 C246 0.6500 1 0.00
C245 C136 C136 C246 -0.1000 2 180.00
C245 C136 C136 C246 0.1000 3 0.00
C245 C136 C136 C285 0.6500 1 0.00
C245 C136 C136 C285 -0.1000 2 180.00
C245 C136 C136 C285 0.1000 3 0.00
C245 C136 C136 H140 0.1500 3 0.00
C245 N239 C235 C246 1.1500 1 0.00
C245 N239 C235 C246 3.0445 2 180.00
C245 N239 C235 C292 1.1500 1 0.00
C245 N239 C235 C292 3.0445 2 180.00
C245 N239 C235 C293 1.1500 1 0.00
C245 N239 C235 C293 3.0445 2 180.00
C245 N239 C235 C295 1.1500 1 0.00
C245 N239 C235 C295 3.0445 2 180.00
C245 N239 C235 O236 3.0445 2 180.00
C245 N239 C246 H140 0.0000 1 0.00
C245 N239 C285 C271 -0.8685 1 0.00
C245 N239 C285 C271 0.6255 2 180.00
C245 N239 C285 C271 -1.7505 3 0.00
C245 N239 C285 H140 0.0000 1 0.00
C246 C136 C136 H140 0.1500 3 0.00
C246 C235 N238 C283 1.1500 1 0.00
C246 C235 N238 C283 3.0445 2 180.00
C246 C235 N238 C284 1.1500 1 0.00
C246 C235 N238 C284 3.0445 2 180.00
C246 C235 N238 H241 2.4500 2 180.00
C246 C235 N239 C246 1.1500 1 0.00
C246 C235 N239 C246 3.0445 2 180.00
C246 C235 N239 C285 1.1500 1 0.00
C246 C235 N239 C285 3.0445 2 180.00
C246 N239 C235 C292 1.1500 1 0.00
C246 N239 C235 C292 3.0445 2 180.00
C246 N239 C235 C293 1.1500 1 0.00
C246 N239 C235 C293 3.0445 2 180.00
C246 N239 C235 C295 1.1500 1 0.00
C246 N239 C235 C295 3.0445 2 180.00
C246 N239 C235 O236 3.0445 2 180.00
C246 N239 C245 H140 0.0000 1 0.00
C267 C136 C224 H140 -0.0380 3 0.00
C267 C136 C224 N238 -2.7505 1 0.00
C267 C136 C224 N238 0.7635 2 180.00
C267 C136 C224 N238 0.0000 3 0.00
C267 C224 C135 H140 0.0370 3 0.00
C267 C223 N238 H241 0.0000 1 0.00
C267 C224 N238 H241 0.0000 1 0.00
C271 C274 C136 C283 -0.4425 1 0.00
C271 C274 C136 C283 0.5125 2 180.00
C271 C274 C136 C283 -0.6465 3 0.00
C271 C274 C136 C293 -0.4425 1 0.00
C271 C274 C136 C293 0.5125 2 180.00
C271 C274 C136 C293 -0.6465 3 0.00
C271 C274 C136 H140 -0.1125 3 0.00
C271 C274 C224 H140 0.1500 3 0.00
C271 C274 C224 N238 -3.9450 1 0.00
C271 C274 C224 N238 0.3310 2 180.00
C271 C274 C224 N238 0.4985 3 0.00
C271 C274 C283 C271 0.7715 1 0.00
C271 C274 C283 C271 0.3480 2 180.00
C271 C274 C283 C271 0.0000 3 0.00
C271 C274 C283 H140 0.1500 3 0.00
C271 C274 C283 N238 -3.9450 1 0.00
C271 C274 C283 N238 0.3310 2 180.00
C271 C274 C283 N238 0.4985 3 0.00
C271 C274 C293 H140 0.1500 3 0.00
C271 C274 C293 N287 -3.9450 1 0.00
C271 C274 C293 N287 0.3310 2 180.00
C271 C274 C293 N287 0.4985 3 0.00
C271 C283 C135 H140 -0.0380 3 0.00
C271 C283 C136 C274 -0.8820 1 0.00
C271 C283 C136 C274 0.3500 2 180.00
C271 C283 C136 C274 0.0000 3 0.00
C271 C283 C136 C308 -0.9855 1 0.00
C271 C283 C136 C308 0.3850 2 180.00
C271 C283 C136 C308 0.0000 3 0.00
C271 C283 C136 C500 -0.2530 1 0.00
C271 C283 C136 C500 0.4875 2 180.00
C271 C283 C136 C500 0.0000 3 0.00
C271 C283 C136 H140 -0.0380 3 0.00
C271 C283 C137 H140 -0.0380 3 0.00
C271 C283 C149 H140 -0.0380 3 0.00
C271 C283 C157 H140 -0.0380 3 0.00
C271 C283 C157 O154 -2.8965 1 0.00
C271 C283 C157 O154 0.2025 2 180.00
C271 C283 C157 O154 0.0000 3 0.00
C271 C283 C158 H140 -0.0380 3 0.00
C271 C283 C158 O154 -2.8965 1 0.00
C271 C283 C158 O154 0.2025 2 180.00
C271 C283 C158 O154 0.0000 3 0.00
C271 C283 C206 H140 -0.0380 3 0.00
C271 C283 C206 S200 -1.6615 1 0.00
C271 C283 C206 S200 0.2645 2 180.00
C271 C283 C206 S200 0.0000 3 0.00
C271 C283 C214 H140 -0.0380 3 0.00
C271 C283 C214 S203 -1.6615 1 0.00
C271 C283 C214 S203 0.2645 2 180.00
C271 C283 C214 S203 0.0000 3 0.00
C271 C283 C274 H140 -0.0380 3 0.00
C271 C283 C505 C507 -0.6410 1 0.00
C271 C283 C505 C507 0.8225 2 180.00
C271 C283 C505 C507 -0.0085 3 0.00
C271 C283 C505 C508 -0.6410 1 0.00
C271 C283 C505 C508 0.8225 2 180.00
C271 C283 C505 C508 -0.0085 3 0.00
C271 C283 C505 C510 -0.8540 1 0.00
C271 C283 C505 C510 0.7580 2 180.00
C271 C283 C505 C510 -0.2510 3 0.00
C271 C283 C505 H140 -0.0380 3 0.00
C271 C283 N238 H241 0.0000 1 0.00
C271 C284 N238 H241 0.0000 1 0.00
C271 C285 C136 H140 -0.0380 3 0.00
C274 C136 C224 H140 0.1500 3 0.00
C274 C136 C224 N238 0.9935 1 0.00
C274 C136 C224 N238 0.2285 2 180.00
C274 C136 C224 N238 0.4100 3 0.00
C274 C136 C283 H140 0.1500 3 0.00
C274 C136 C283 N238 0.9935 1 0.00
C274 C136 C283 N238 0.2285 2 180.00
C274 C136 C283 N238 0.4100 3 0.00
C274 C136 C293 H140 0.1500 3 0.00
C274 C136 C293 N287 0.9935 1 0.00
C274 C136 C293 N287 0.2285 2 180.00
C274 C136 C293 N287 0.4100 3 0.00
C274 C224 C235 N238 0.8895 1 0.00
C274 C224 C235 N238 0.2095 2 180.00
C274 C224 C235 N238 -0.0550 3 0.00
C274 C224 C235 N239 0.8895 1 0.00
C274 C224 C235 N239 0.2095 2 180.00
C274 C224 C235 N239 -0.0550 3 0.00
C274 C224 C235 O236 0.0000 1 0.00
C274 C224 N238 H241 0.0000 1 0.00
C274 C283 C271 O272 0.4100 2 180.00
C274 C283 N238 H241 0.0000 1 0.00
C274 C293 C235 N238 0.8895 1 0.00
C274 C293 C235 N238 0.2095 2 180.00
C274 C293 C235 N238 -0.0550 3 0.00
C274 C293 C235 N239 0.8895 1 0.00
C274 C293 C235 N239 0.2095 2 180.00
C274 C293 C235 N239 -0.0550 3 0.00
C274 C293 C235 O236 0.0000 1 0.00
C274 C293 N287 H290 0.1735 3 0.00
C283 C136 C136 H140 0.1500 3 0.00
C283 C136 C137 H140 0.1500 3 0.00
C283 C136 C210 H140 0.1500 3 0.00
C283 C136 C210 S202 -0.7825 1 0.00
C283 C136 C210 S202 -0.0045 2 180.00
C283 C136 C210 S202 -0.2250 3 0.00
C283 C136 C235 N237 0.7470 1 0.00
C283 C136 C235 N237 -0.2555 2 180.00
C283 C136 C235 N237 0.0625 3 0.00
C283 C136 C235 O236 0.8280 1 0.00
C283 C136 C235 O236 0.6520 2 180.00
C283 C136 C235 O236 0.2195 3 0.00
C283 C136 C267 O268 0.5000 1 0.00
C283 C136 C267 O268 0.2730 2 180.00
C283 C136 C267 O268 0.2250 3 0.00
C283 C136 C267 O269 0.2730 2 180.00
C283 C136 C274 H140 0.1500 3 0.00
C283 C136 C308 C307 0.6500 1 0.00
C283 C136 C308 C307 -0.1000 2 180.00
C283 C136 C308 C307 0.1000 3 0.00
C283 C136 C308 H140 0.1500 3 0.00
C283 C136 C500 C501 0.0000 1 0.00
C283 C136 C500 C514 -0.3570 1 0.00
C283 C137 C135 H140 0.1500 3 0.00
C283 C137 C136 H140 0.1500 3 0.00
C283 C157 O154 H155 -0.1780 1 0.00
C283 C157 O154 H155 -0.0870 2 180.00
C283 C157 O154 H155 0.2460 3 0.00
C283 C158 C135 H140 0.1500 3 0.00
C283 C158 O154 H155 -0.1780 1 0.00
C283 C158 O154 H155 -0.0870 2 180.00
C283 C158 O154 H155 0.2460 3 0.00
C283 C206 S200 H204 -0.3795 1 0.00
C283 C206 S200 H204 -0.1410 2 180.00
C283 C206 S200 H204 0.3400 3 0.00
C283 C214 S203 S203 0.9705 1 0.00
C283 C214 S203 S203 -0.4180 2 180.00
C283 C214 S203 S203 0.4675 3 0.00
C283 C274 C271 O272 1.2500 1 0.00
C283 C274 C271 O272 0.5000 2 180.00
C283 C274 C271 O272 0.6750 3 0.00
C283 C505 C507 C508 0.0000 1 0.00
C283 C505 C507 N511 -0.2800 1 0.00
C283 C505 C507 N511 -0.3700 2 180.00
C283 C505 C507 N511 0.1745 3 0.00
C283 C505 C508 C507 0.0000 1 0.00
C283 C505 C508 N503 -0.2800 1 0.00
C283 C505 C508 N503 -0.3700 2 180.00
C283 C505 C508 N503 0.1745 3 0.00
C283 C505 C510 C510 0.0000 1 0.00
C283 C505 C510 N512 -1.9950 1 0.00
C283 C505 C510 N512 0.8400 2 180.00
C283 C505 C510 N512 0.1450 3 0.00
C283 N238 C235 O236 3.0445 2 180.00
C284 N238 C235 O236 3.0445 2 180.00
C285 C136 C136 H140 0.1500 3 0.00
C285 N239 C235 O236 3.0445 2 180.00
C285 N239 C245 H140 0.0000 1 0.00
C292 C136 C136 H140 0.1500 3 0.00
C292 C235 N238 H241 2.4500 2 180.00
C293 C136 C136 H140 0.1500 3 0.00
C293 C136 C137 H140 0.1500 3 0.00
C293 C136 C210 H140 0.1500 3 0.00
C293 C136 C210 S202 -0.7825 1 0.00
C293 C136 C210 S202 -0.0045 2 180.00
C293 C136 C210 S202 -0.2250 3 0.00
C293 C136 C235 N237 0.7470 1 0.00
C293 C136 C235 N237 -0.2555 2 180.00
C293 C136 C235 N237 0.0625 3 0.00
C293 C136 C235 O236 0.8280 1 0.00
C293 C136 C235 O236 0.6520 2 180.00
C293 C136 C235 O236 0.2195 3 0.00
C293 C136 C267 O268 0.5000 1 0.00
C293 C136 C267 O268 0.2730 2 180.00
C293 C136 C267 O268 0.2250 3 0.00
C293 C136 C267 O269 0.2730 2 180.00
C293 C136 C274 H140 0.1500 3 0.00
C293 C136 C308 C307 0.6500 1 0.00
C293 C136 C308 C307 -0.1000 2 180.00
C293 C136 C308 C307 0.1000 3 0.00
C293 C136 C308 H140 0.1500 3 0.00
C293 C136 C500 C501 0.0000 1 0.00
C293 C136 C500 C514 -0.3570 1 0.00
C293 C137 C135 H140 0.1500 3 0.00
C293 C137 C136 H140 0.1500 3 0.00
C293 C157 O154 H155 -0.1780 1 0.00
C293 C157 O154 H155 -0.0870 2 180.00
C293 C157 O154 H155 0.2460 3 0.00
C293 C158 C135 H140 0.1500 3 0.00
C293 C158 O154 H155 -0.1780 1 0.00
C293 C158 O154 H155 -0.0870 2 180.00
C293 C158 O154 H155 0.2460 3 0.00
C293 C206 S200 H204 -0.3795 1 0.00
C293 C206 S200 H204 -0.1410 2 180.00
C293 C206 S200 H204 0.3400 3 0.00
C293 C214 S203 S203 0.9705 1 0.00
C293 C214 S203 S203 -0.4180 2 180.00
C293 C214 S203 S203 0.4675 3 0.00
C293 C235 N238 H241 2.4500 2 180.00
C293 C274 C271 O272 1.2500 1 0.00
C293 C274 C271 O272 0.5000 2 180.00
C293 C274 C271 O272 0.6750 3 0.00
C293 C505 C507 C508 0.0000 1 0.00
C293 C505 C507 N511 -0.2800 1 0.00
C293 C505 C507 N511 -0.3700 2 180.00
C293 C505 C507 N511 0.1745 3 0.00
C293 C505 C508 C507 0.0000 1 0.00
C293 C505 C508 N503 -0.2800 1 0.00
C293 C505 C508 N503 -0.3700 2 180.00
C293 C505 C508 N503 0.1745 3 0.00
C293 C505 C510 C510 0.0000 1 0.00
C293 C505 C510 N512 -1.9950 1 0.00
C293 C505 C510 N512 0.8400 2 180.00
C293 C505 C510 N512 0.1450 3 0.00
C295 C136 C136 C296 0.6500 1 0.00
C295 C136 C136 C296 -0.1000 2 180.00
C295 C136 C136 C296 0.1000 3 0.00
C295 C136 C136 H140 0.1500 3 0.00
C295 C235 N238 H241 2.4500 2 180.00
C295 N309 C296 H140 0.1509 3 0.00
C296 C136 C136 H140 0.1500 3 0.00
C296 N309 C295 H140 0.1509 3 0.00
C302 N303 C307 C308 0.9145 1 0.00
C302 N303 C307 C308 0.1215 2 180.00
C302 N303 C307 C308 -0.2490 3 0.00
C302 N303 C307 H140 0.0885 3 0.00
C307 C308 C136 H140 0.1500 3 0.00
C307 N303 C302 N300 3.9680 2 180.00
C308 C136 C224 H140 0.1500 3 0.00
C308 C136 C224 N238 0.0515 1 0.00
C308 C136 C224 N238 0.3265 2 180.00
C308 C136 C224 N238 0.2815 3 0.00
C308 C136 C283 H140 0.1500 3 0.00
C308 C136 C283 N238 0.0515 1 0.00
C308 C136 C283 N238 0.3265 2 180.00
C308 C136 C283 N238 0.2815 3 0.00
C308 C136 C293 H140 0.1500 3 0.00
C308 C136 C293 N287 0.0515 1 0.00
C308 C136 C293 N287 0.3265 2 180.00
C308 C136 C293 N287 0.2815 3 0.00
C308 C307 N303 H304 -0.0950 1 0.00
C308 C307 N303 H304 -0.2085 2 180.00
C308 C307 N303 H304 0.2090 3 0.00
C500 C136 C224 H140 0.2310 3 0.00
C500 C136 C224 N238 -0.2940 1 0.00
C500 C136 C224 N238 0.5100 2 180.00
C500 C136 C224 N238 0.3325 3 0.00
C500 C136 C283 H140 0.2310 3 0.00
C500 C136 C283 N238 -0.2940 1 0.00
C500 C136 C283 N238 0.5100 2 180.00
C500 C136 C283 N238 0.3325 3 0.00
C500 C136 C293 H140 0.2310 3 0.00
C500 C136 C293 N287 -0.2940 1 0.00
C500 C136 C293 N287 0.5100 2 180.00
C500 C136 C293 N287 0.3325 3 0.00
C500 C501 C145 H146 3.5000 2 180.00
C501 C500 C136 H140 0.0000 1 0.00
C501 C502 C145 H146 3.6250 2 180.00
C502 C501 C145 H146 3.5000 2 180.00
C502 C501 C500 C514 1.6750 2 180.00
C502 N503 C514 H146 1.5000 2 180.00
C505 C224 C235 N238 0.8895 1 0.00
C505 C224 C235 N238 0.2095 2 180.00
C505 C224 C235 N238 -0.0550 3 0.00
C505 C224 C235 N239 0.8895 1 0.00
C505 C224 C235 N239 0.2095 2 180.00
C505 C224 C235 N239 -0.0550 3 0.00
C505 C224 C235 O236 0.0000 1 0.00
C505 C224 N238 H241 0.0000 1 0.00
C505 C283 C271 O272 0.4100 2 180.00
C505 C283 N238 H241 0.0000 1 0.00
C505 C293 C235 N238 0.8895 1 0.00
C505 C293 C235 N238 0.2095 2 180.00
C505 C293 C235 N238 -0.0550 3 0.00
C505 C293 C235 O236 0.0000 1 0.00
C505 C293 N287 H290 0.1735 3 0.00
C505 C508 C507 H146 5.3750 2 180.00
C505 C508 C507 N511 5.3750 2 180.00
C505 C508 N503 C506 1.4000 2 180.00
C505 C508 N503 H504 1.4000 2 180.00
C505 C510 N512 C509 1.4000 2 180.00
C505 C510 N512 H513 1.4000 2 180.00
C506 N503 C508 C507 1.4000 2 180.00
C506 N503 C508 H146 2.5000 2 180.00
C506 N511 C507 C508 2.4000 2 180.00
C506 N511 C507 H146 2.4000 2 180.00
C507 C505 C224 H140 0.2310 3 0.00
C507 C505 C224 N238 -0.2710 1 0.00
C507 C505 C224 N238 0.2175 2 180.00
C507 C505 C224 N238 0.0000 3 0.00
C507 C505 C283 H140 0.2310 3 0.00
C507 C505 C283 N238 -0.2710 1 0.00
C507 C505 C283 N238 0.2175 2 180.00
C507 C505 C283 N238 0.0000 3 0.00
C507 C505 C293 H140 0.2310 3 0.00
C507 C505 C293 N287 -0.2710 1 0.00
C507 C505 C293 N287 0.2175 2 180.00
C507 C505 C293 N287 0.0000 3 0.00
C507 C508 C505 H140 0.0000 1 0.00
C507 C508 N503 H504 1.4000 2 180.00
C507 N511 C506 H146 5.0000 2 180.00
C507 N511 C506 N503 5.0000 2 180.00
C508 C505 C224 H140 0.2310 3 0.00
C508 C505 C224 N238 -0.2710 1 0.00
C508 C505 C224 N238 0.2175 2 180.00
C508 C505 C224 N238 0.0000 3 0.00
C508 C505 C283 H140 0.2310 3 0.00
C508 C505 C283 N238 -0.2710 1 0.00
C508 C505 C283 N238 0.2175 2 180.00
C508 C505 C283 N238 0.0000 3 0.00
C508 C505 C293 H140 0.2310 3 0.00
C508 C505 C293 N287 -0.2710 1 0.00
C508 C505 C293 N287 0.2175 2 180.00
C508 C505 C293 N287 0.0000 3 0.00
C508 C507 C505 H140 0.0000 1 0.00
C508 N503 C506 H146 2.3250 2 180.00
C508 N503 C506 N511 2.3250 2 180.00
C509 N512 C510 C510 1.4000 2 180.00
C509 N512 C510 H146 2.5000 2 180.00
C510 C505 C224 H140 0.2310 3 0.00
C510 C505 C224 N238 -1.5190 1 0.00
C510 C505 C224 N238 0.2095 2 180.00
C510 C505 C224 N238 0.0000 3 0.00
C510 C505 C283 H140 0.2310 3 0.00
C510 C505 C283 N238 -1.5190 1 0.00
C510 C505 C283 N238 0.2095 2 180.00
C510 C505 C283 N238 0.0000 3 0.00
C510 C505 C293 H140 0.2310 3 0.00
C510 C505 C293 N287 -1.5190 1 0.00
C510 C505 C293 N287 0.2095 2 180.00
C510 C505 C293 N287 0.0000 3 0.00
C510 C510 C505 H140 0.0000 1 0.00
C510 C510 N512 H513 1.4000 2 180.00
C510 N512 C509 H146 2.3250 2 180.00
C510 N512 C509 N512 2.3250 2 180.00
C514 C500 C136 H140 -0.2400 3 0.00
H140 C135 C136 H140 0.1500 3 0.00
H140 C135 C137 H140 0.1500 3 0.00
H140 C135 C158 H140 0.1500 3 0.00
H140 C135 C158 O154 0.2340 3 0.00
H140 C135 C224 H140 0.1500 3 0.00
H140 C135 C224 N238 0.2320 3 0.00
H140 C135 C235 N238 0.0000 1 0.00
H140 C135 C235 N239 0.0000 1 0.00
H140 C135 C235 O236 0.0000 1 0.00
H140 C135 C283 H140 0.1500 3 0.00
H140 C135 C283 N238 0.2320 3 0.00
H140 C135 C293 H140 0.1500 3 0.00
H140 C135 C293 N287 0.2320 3 0.00
H140 C136 C136 H140 0.1500 3 0.00
H140 C136 C137 H140 0.1500 3 0.00
H140 C136 C210 H140 0.1500 3 0.00
H140 C136 C210 S202 0.2260 3 0.00
H140 C136 C224 H140 0.1500 3 0.00
H140 C136 C224 N238 0.2320 3 0.00
H140 C136 C235 N237 0.0000 1 0.00
H140 C136 C235 O236 0.0000 1 0.00
H140 C136 C245 H140 0.1500 3 0.00
H140 C136 C245 N239 0.2320 3 0.00
H140 C136 C246 H140 0.1500 3 0.00
H140 C136 C246 N239 0.2320 3 0.00
H140 C136 C267 O268 0.0000 1 0.00
H140 C136 C267 O269 0.0000 1 0.00
H140 C136 C274 H140 0.1500 3 0.00
H140 C136 C283 H140 0.1500 3 0.00
H140 C136 C283 N238 0.2320 3 0.00
H140 C136 C285 H140 0.1500 3 0.00
H140 C136 C285 N239 0.2320 3 0.00
H140 C136 C292 H140 0.1500 3 0.00
H140 C136 C292 N287 0.1920 3 0.00
H140 C136 C293 H140 0.1500 3 0.00
H140 C136 C293 N287 0.2320 3 0.00
H140 C136 C295 H140 0.1500 3 0.00
H140 C136 C295 N309 0.1920 3 0.00
H140 C136 C296 H140 0.1500 3 0.00
H140 C136 C296 N309 0.1920 3 0.00
H140 C136 C308 H140 0.1500 3 0.00
H140 C137 C224 H140 0.1500 3 0.00
H140 C137 C224 N238 0.2320 3 0.00
H140 C137 C283 H140 0.1500 3 0.00
H140 C137 C283 N238 0.2320 3 0.00
H140 C137 C293 H140 0.1500 3 0.00
H140 C137 C293 N287 0.2320 3 0.00
H140 C149 C224 H140 0.1500 3 0.00
H140 C149 C224 N238 0.2320 3 0.00
H140 C149 C283 H140 0.1500 3 0.00
H140 C149 C283 N238 0.2320 3 0.00
H140 C149 C293 H140 0.1500 3 0.00
H140 C149 C293 N287 0.2320 3 0.00
H140 C157 C224 H140 0.1500 3 0.00
H140 C157 C224 N238 0.2320 3 0.00
H140 C157 C283 H140 0.1500 3 0.00
H140 C157 C283 N238 0.2320 3 0.00
H140 C157 C293 H140 0.1500 3 0.00
H140 C157 C293 N287 0.2320 3 0.00
H140 C157 O154 H155 0.1762 3 0.00
H140 C158 C224 H140 0.1500 3 0.00
H140 C158 C224 N238 0.2320 3 0.00
H140 C158 C283 H140 0.1500 3 0.00
H140 C158 C283 N238 0.2320 3 0.00
H140 C158 C293 H140 0.1500 3 0.00
H140 C158 C293 N287 0.2320 3 0.00
H140 C158 O154 H155 0.1762 3 0.00
H140 C206 C224 H140 0.1500 3 0.00
H140 C206 C224 N238 0.2320 3 0.00
H140 C206 C283 H140 0.1500 3 0.00
H140 C206 C283 N238 0.2320 3 0.00
H140 C206 C293 H140 0.1500 3 0.00
H140 C206 C293 N287 0.2320 3 0.00
H140 C206 S200 H204 0.2400 3 0.00
H140 C214 C224 H140 0.1500 3 0.00
H140 C214 C224 N238 0.2320 3 0.00
H140 C214 C283 H140 0.1500 3 0.00
H140 C214 C283 N238 0.2320 3 0.00
H140 C214 C293 H140 0.1500 3 0.00
H140 C214 C293 N287 0.2320 3 0.00
H140 C214 S203 S203 0.2790 3 0.00
H140 C223 C235 N238 0.0000 1 0.00
H140 C223 C235 N239 0.0000 1 0.00
H140 C223 C235 O236 0.0000 1 0.00
H140 C223 N238 H241 0.0000 1 0.00
H140 C224 C157 O154 0.2340 3 0.00
H140 C224 C158 O154 0.2340 3 0.00
H140 C224 C206 S200 0.2260 3 0.00
H140 C224 C214 S203 0.2260 3 0.00
H140 C224 C235 N238 0.0000 1 0.00
H140 C224 C235 N239 0.0000 1 0.00
H140 C224 C235 O236 0.0000 1 0.00
H140 C223 C267 O268 0.0000 1 0.00
H140 C223 C267 O269 0.0000 1 0.00
H140 C224 C267 O268 0.0000 1 0.00
H140 C224 C267 O269 0.0000 1 0.00
H140 C224 C274 H140 0.1500 3 0.00
H140 C224 C505 H140 0.1500 3 0.00
H140 C224 N238 H241 0.0000 1 0.00
H140 C242 N238 H241 0.0000 1 0.00
H140 C246 C235 N238 0.0000 1 0.00
H140 C246 C235 N239 0.0000 1 0.00
H140 C246 C235 O236 0.0000 1 0.00
H140 C274 C224 N238 0.2320 3 0.00
H140 C274 C271 O272 0.0000 1 0.00
H140 C274 C283 H140 0.1500 3 0.00
H140 C274 C283 N238 0.2320 3 0.00
H140 C274 C293 H140 0.1500 3 0.00
H140 C274 C293 N287 0.2320 3 0.00
H140 C283 C157 O154 0.2340 3 0.00
H140 C283 C158 O154 0.2340 3 0.00
H140 C283 C206 S200 0.2260 3 0.00
H140 C283 C214 S203 0.2260 3 0.00
H140 C283 C271 O272 0.0000 1 0.00
H140 C283 C505 H140 0.1500 3 0.00
H140 C283 N238 H241 0.0000 1 0.00
H140 C284 C271 O272 0.0000 1 0.00
H140 C284 N238 H241 0.0000 1 0.00
H140 C285 C271 O272 0.0000 1 0.00
H140 C292 C235 N238 0.0000 1 0.00
H140 C292 C235 O236 0.0000 1 0.00
H140 C292 N287 H290 0.1305 3 0.00
H140 C293 C157 O154 0.2340 3 0.00
H140 C293 C158 O154 0.2340 3 0.00
H140 C293 C206 S200 0.2260 3 0.00
H140 C293 C214 S203 0.2260 3 0.00
H140 C293 C235 N238 0.0000 1 0.00
H140 C293 C235 N239 0.0000 1 0.00
H140 C293 C235 O236 0.0000 1 0.00
H140 C293 C505 H140 0.1500 3 0.00
H140 C293 N287 H290 0.1305 3 0.00
H140 C295 C235 N238 0.0000 1 0.00
H140 C295 C235 N239 0.0000 1 0.00
H140 C295 C235 O236 0.0000 1 0.00
H140 C295 N309 H310 0.1305 3 0.00
H140 C296 N309 H310 0.1920 3 0.00
H140 C307 C308 H140 0.1500 3 0.00
H140 C307 N303 H304 0.0000 1 0.00
H140 C308 C307 N303 -0.2910 3 0.00
H140 C505 C224 N238 0.2320 3 0.00
H140 C505 C283 N238 0.2320 3 0.00
H140 C505 C293 N287 0.2320 3 0.00
H140 C505 C507 N511 0.2095 3 0.00
H140 C505 C508 N503 0.2095 3 0.00
H140 C505 C510 N512 0.2095 3 0.00
H146 C508 C507 N511 5.3750 2 180.00
H146 C508 N503 H504 2.5000 2 180.00
H146 C510 N512 H513 2.5000 2 180.00
H240 N237 C235 O236 2.4500 2 180.00
H241 N238 C235 O236 2.4500 2 180.00
H270 O268 C267 O269 2.7500 2 180.00
H301 N300 C302 N300 1.9500 2 180.00
H301 N300 C302 N303 1.9500 2 180.00
H304 N303 C302 N300 1.9500 2 180.00
H504 N503 C506 N511 2.3250 2 180.00
H513 N512 C509 N512 2.3250 2 180.00
N238 C223 C235 N238 0.9050 1 0.00
N238 C223 C235 N238 1.0775 2 180.00
N238 C223 C235 N238 -0.2350 3 0.00
N238 C223 C235 N239 0.9050 1 0.00
N238 C223 C235 N239 1.0775 2 180.00
N238 C223 C235 N239 -0.2350 3 0.00
N238 C223 C235 O236 0.0000 1 0.00
N238 C224 C157 O154 3.1290 1 0.00
N238 C224 C157 O154 -0.5185 2 180.00
N238 C224 C157 O154 0.6835 3 0.00
N238 C224 C158 O154 3.1290 1 0.00
N238 C224 C158 O154 -0.5185 2 180.00
N238 C224 C158 O154 0.6835 3 0.00
N238 C224 C206 S200 1.0275 1 0.00
N238 C224 C206 S200 0.2645 2 180.00
N238 C224 C206 S200 0.2720 3 0.00
N238 C224 C214 S203 1.0275 1 0.00
N238 C224 C214 S203 0.2645 2 180.00
N238 C224 C214 S203 0.2720 3 0.00
N238 C224 C235 N238 0.9050 1 0.00
N238 C224 C235 N238 1.0775 2 180.00
N238 C224 C235 N238 -0.2350 3 0.00
N238 C224 C235 N239 0.9050 1 0.00
N238 C224 C235 N239 1.0775 2 180.00
N238 C224 C235 N239 -0.2350 3 0.00
N238 C224 C235 O236 0.0000 1 0.00
N238 C223 C267 O268 2.6300 1 0.00
N238 C223 C267 O268 0.4100 2 180.00
N238 C223 C267 O268 0.0000 3 0.00
N238 C224 C267 O268 2.6300 1 0.00
N238 C224 C267 O268 0.4100 2 180.00
N238 C224 C267 O268 0.0000 3 0.00
N238 C223 C267 O269 0.0000 1 0.00
N238 C224 C267 O269 0.0000 1 0.00
N238 C235 C246 N239 -0.4700 1 0.00
N238 C235 C246 N239 1.3775 2 180.00
N238 C235 C246 N239 -1.3350 3 0.00
N238 C235 C292 N287 0.9050 1 0.00
N238 C235 C292 N287 1.0775 2 180.00
N238 C235 C292 N287 -0.2350 3 0.00
N238 C235 C293 N287 0.9050 1 0.00
N238 C235 C293 N287 1.0775 2 180.00
N238 C235 C293 N287 -0.2350 3 0.00
N238 C235 C295 N309 -0.4700 1 0.00
N238 C235 C295 N309 1.3775 2 180.00
N238 C235 C295 N309 -1.3350 3 0.00
N238 C283 C157 O154 3.1290 1 0.00
N238 C283 C157 O154 -0.5185 2 180.00
N238 C283 C157 O154 0.6835 3 0.00
N238 C283 C158 O154 3.1290 1 0.00
N238 C283 C158 O154 -0.5185 2 180.00
N238 C283 C158 O154 0.6835 3 0.00
N238 C283 C206 S200 1.0275 1 0.00
N238 C283 C206 S200 0.2645 2 180.00
N238 C283 C206 S200 0.2720 3 0.00
N238 C283 C214 S203 1.0275 1 0.00
N238 C283 C214 S203 0.2645 2 180.00
N238 C283 C214 S203 0.2720 3 0.00
N238 C283 C271 O272 0.4100 2 180.00
N238 C284 C271 O272 0.4100 2 180.00
N239 C235 C246 N239 -0.4700 1 0.00
N239 C235 C246 N239 1.3775 2 180.00
N239 C235 C246 N239 -1.3350 3 0.00
N239 C235 C293 N287 0.9050 1 0.00
N239 C235 C293 N287 1.0775 2 180.00
N239 C235 C293 N287 -0.2350 3 0.00
N239 C235 C295 N309 -0.4700 1 0.00
N239 C235 C295 N309 1.3775 2 180.00
N239 C235 C295 N309 -1.3350 3 0.00
N239 C246 C235 O236 0.0000 1 0.00
N239 C285 C271 O272 0.4100 2 180.00
N287 C292 C235 O236 0.0000 1 0.00
N287 C293 C157 O154 3.1290 1 0.00
N287 C293 C157 O154 -0.5185 2 180.00
N287 C293 C157 O154 0.6835 3 0.00
N287 C293 C158 O154 3.1290 1 0.00
N287 C293 C158 O154 -0.5185 2 180.00
N287 C293 C158 O154 0.6835 3 0.00
N287 C293 C206 S200 1.0275 1 0.00
N287 C293 C206 S200 0.2645 2 180.00
N287 C293 C206 S200 0.2720 3 0.00
N287 C293 C214 S203 1.0275 1 0.00
N287 C293 C214 S203 0.2645 2 180.00
N287 C293 C214 S203 0.2720 3 0.00
N287 C293 C235 O236 0.0000 1 0.00
N309 C295 C235 O236 0.0000 1 0.00
N503 C508 C507 N511 5.3750 2 180.00
C267 C136 C293 N287 -2.7505 1 0.00
C267 C136 C293 N287 0.7635 2 180.00
C267 C136 C293 N287 0.0000 3 0.00
C235 C293 C136 C267 0.2990 1 0.00
C235 C293 C136 C267 0.7790 2 180.00
C235 C293 C136 C267 0.1275 3 0.00
C267 C136 C283 N238 -2.7505 1 0.00
C267 C136 C283 N238 0.7635 2 180.00
C267 C136 C283 N238 0.0000 3 0.00
C267 C136 C283 C271 0.2990 1 0.00
C267 C136 C283 C271 0.7790 2 180.00
C267 C136 C283 C271 0.1275 3 0.00
IMPROPERS
C136 C500 C501 C514 1.1000 2 180.00
C145 C501 C502 N503 1.1000 2 180.00
C145 C145 C145 C149 1.1000 2 180.00
C235 C245 C285 N238 2.5000 2 180.00
C235 C245 C246 N239 2.5000 2 180.00
C235 C245 C285 N239 2.5000 2 180.00
C145 C500 C501 C502 1.1000 2 180.00
C505 C507 C508 N511 1.1000 2 180.00
C505 C507 C508 N503 1.1000 2 180.00
C505 C510 C510 N512 1.1000 2 180.00
C145 C145 C145 H146 1.1000 2 180.00
C145 C145 C166 H146 1.1000 2 180.00
C145 C145 C501 H146 1.1000 2 180.00
C145 C145 C502 H146 1.1000 2 180.00
C506 H146 N503 N511 1.1000 2 180.00
C507 C508 H146 N511 1.1000 2 180.00
C507 C508 H146 N503 1.1000 2 180.00
C509 H146 N512 N512 1.1000 2 180.00
C510 C510 H146 N512 1.1000 2 180.00
C500 C514 H146 N503 1.1000 2 180.00
C235 H240 H240 N237 2.5000 2 180.00
C223 C235 H241 N238 2.5000 2 180.00
C224 C235 H241 N238 2.5000 2 180.00
C235 C242 H241 N238 2.5000 2 180.00
C235 C283 H241 N238 2.5000 2 180.00
C235 C284 H241 N238 2.5000 2 180.00
C302 H301 H301 N300 2.5000 2 180.00
C302 C307 H304 N303 2.5000 2 180.00
C502 C514 H504 N503 2.5000 2 180.00
C506 C508 H504 N503 2.5000 2 180.00
C509 C510 H513 N512 2.5000 2 180.00
C302 N300 N300 N303 10.5000 2 180.00
C145 C145 C166 O167 1.1000 2 180.00
C135 C235 N239 O236 10.5000 2 180.00
C135 C235 N238 O236 10.5000 2 180.00
C136 C235 N237 O236 10.5000 2 180.00
C223 C235 N238 O236 10.5000 2 180.00
C223 C235 N239 O236 10.5000 2 180.00
C224 C235 N238 O236 10.5000 2 180.00
C224 C235 N239 O236 10.5000 2 180.00
C235 C246 N238 O236 10.5000 2 180.00
C235 C246 N239 O236 10.5000 2 180.00
C235 C292 N238 O236 10.5000 2 180.00
C235 C293 N238 O236 10.5000 2 180.00
C235 C293 N239 O236 10.5000 2 180.00
C235 C295 N238 O236 10.5000 2 180.00
C235 C295 N239 O236 10.5000 2 180.00
C136 C267 O268 O269 10.5000 2 180.00
C224 C267 O268 O269 10.5000 2 180.00
C271 C274 O272 O272 10.5000 2 180.00
C271 C283 O272 O272 10.5000 2 180.00
C271 C284 O272 O272 10.5000 2 180.00
C271 C285 O272 O272 10.5000 2 180.00
C223 C267 O268 O269 10.5000 2 180.00
NONBONDED nbxmod 5 atom cdiel fshift vatom vdistance vfswitch -
cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 2.0 wmin 1.5
C135 0.000000 -0.066000 1.964309 -0.033000 1.964309
C136 0.000000 -0.066000 1.964309 -0.033000 1.964309
C137 0.000000 -0.066000 1.964309 -0.033000 1.964309
C145 0.000000 -0.070000 1.992370 -0.035000 1.992370
C149 0.000000 -0.066000 1.964309 -0.033000 1.964309
C157 0.000000 -0.066000 1.964309 -0.033000 1.964309
C158 0.000000 -0.066000 1.964309 -0.033000 1.964309
C166 0.000000 -0.070000 1.992370 -0.035000 1.992370
C206 0.000000 -0.066000 1.964309 -0.033000 1.964309
C209 0.000000 -0.066000 1.964309 -0.033000 1.964309
C210 0.000000 -0.066000 1.964309 -0.033000 1.964309
C214 0.000000 -0.066000 1.964309 -0.033000 1.964309
C223 0.000000 -0.066000 1.964309 -0.033000 1.964309
C224 0.000000 -0.066000 1.964309 -0.033000 1.964309
C235 0.000000 -0.105000 2.104616 -0.052500 2.104616
C242 0.000000 -0.066000 1.964309 -0.033000 1.964309
C245 0.000000 -0.066000 1.964309 -0.033000 1.964309
C246 0.000000 -0.066000 1.964309 -0.033000 1.964309
C267 0.000000 -0.105000 2.104616 -0.052500 2.104616
C271 0.000000 -0.105000 2.104616 -0.052500 2.104616
C274 0.000000 -0.066000 1.964309 -0.033000 1.964309
C283 0.000000 -0.066000 1.964309 -0.033000 1.964309
C284 0.000000 -0.066000 1.964309 -0.033000 1.964309
C285 0.000000 -0.066000 1.964309 -0.033000 1.964309
C292 0.000000 -0.066000 1.964309 -0.033000 1.964309
C293 0.000000 -0.066000 1.964309 -0.033000 1.964309
C295 0.000000 -0.066000 1.964309 -0.033000 1.964309
C296 0.000000 -0.066000 1.964309 -0.033000 1.964309
C302 0.000000 -0.050000 1.262770 -0.025000 1.262770
C307 0.000000 -0.066000 1.964309 -0.033000 1.964309
C308 0.000000 -0.066000 1.964309 -0.033000 1.964309
C500 0.000000 -0.070000 1.992370 -0.035000 1.992370
C501 0.000000 -0.070000 1.992370 -0.035000 1.992370
C502 0.000000 -0.070000 1.992370 -0.035000 1.992370
C505 0.000000 -0.066000 1.964309 -0.033000 1.964309
C506 0.000000 -0.070000 1.992370 -0.035000 1.992370
C507 0.000000 -0.070000 1.992370 -0.035000 1.992370
C508 0.000000 -0.070000 1.992370 -0.035000 1.992370
C509 0.000000 -0.070000 1.992370 -0.035000 1.992370
C510 0.000000 -0.070000 1.992370 -0.035000 1.992370
C514 0.000000 -0.070000 1.992370 -0.035000 1.992370
H140 0.000000 -0.030000 1.403078 -0.015000 1.403078
H146 0.000000 -0.030000 1.358179 -0.015000 1.358179
H155 0.000000 -0.000000 0.000000 -0.000000 0.000000
H168 0.000000 -0.000000 0.000000 -0.000000 0.000000
H204 0.000000 -0.000000 0.000000 -0.000000 0.000000
H240 0.000000 -0.000000 0.000000 -0.000000 0.000000
H241 0.000000 -0.000000 0.000000 -0.000000 0.000000
H270 0.000000 -0.000000 0.000000 -0.000000 0.000000
H290 0.000000 -0.000000 0.000000 -0.000000 0.000000
H301 0.000000 -0.000000 0.000000 -0.000000 0.000000
H304 0.000000 -0.000000 0.000000 -0.000000 0.000000
H310 0.000000 -0.000000 0.000000 -0.000000 0.000000
H504 0.000000 -0.000000 0.000000 -0.000000 0.000000
H513 0.000000 -0.000000 0.000000 -0.000000 0.000000
N237 0.000000 -0.170000 1.824001 -0.085000 1.824001
N238 0.000000 -0.170000 1.824001 -0.085000 1.824001
N239 0.000000 -0.170000 1.824001 -0.085000 1.824001
N287 0.000000 -0.170000 1.824001 -0.085000 1.824001
N300 0.000000 -0.170000 1.824001 -0.085000 1.824001
N303 0.000000 -0.170000 1.824001 -0.085000 1.824001
N309 0.000000 -0.170000 1.824001 -0.085000 1.824001
N503 0.000000 -0.170000 1.824001 -0.085000 1.824001
N511 0.000000 -0.170000 1.824001 -0.085000 1.824001
N512 0.000000 -0.170000 1.824001 -0.085000 1.824001
O154 0.000000 -0.170000 1.751041 -0.085000 1.751041
O167 0.000000 -0.170000 1.722979 -0.085000 1.722979
O236 0.000000 -0.210000 1.661244 -0.105000 1.661244
O268 0.000000 -0.170000 1.683693 -0.085000 1.683693
O269 0.000000 -0.210000 1.661244 -0.105000 1.661244
O272 0.000000 -0.210000 1.661244 -0.105000 1.661244
S200 0.000000 -0.425000 2.020432 -0.212500 2.020432
S202 0.000000 -0.355000 2.020432 -0.177500 2.020432
S203 0.000000 -0.355000 2.020432 -0.177500 2.020432
OT 0.000000 -0.152100 1.768200 -0.152100 1.768200
HT 0.000000 -0.046000 0.224500 -0.046000 0.224500
SOD 0.000000 -0.000500 2.996974 -0.000500 2.996974
CLA 0.000000 -0.710000 2.256149 -0.710000 2.256149
END
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment