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ghutchis/GZCGUPFRVQAUEE-SLPGGIOYSA-N.mol2

Created April 1, 2015 15:25
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3DMol Issue (SDF vs. Mol2)
Raw
GZCGUPFRVQAUEE-SLPGGIOYSA-N.mol2
@<TRIPOS>MOLECULE
d-(+)-glucose
24 23 0 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 O -3.9862 -0.0915 -0.4753 O.2 1 UNL11111 -0.4322
2 C -3.1086 -0.7606 0.0104 C.2 1 UNL11111 0.3255
3 C -1.9542 -0.0724 0.7328 C.3 1 UNL11111 -0.0217
4 H -2.0091 -0.2416 1.8344 H 1 UNL11111 0.1622
5 O -2.0231 1.3296 0.5822 O.3 1 UNL11111 -0.5655
6 C -0.6215 -0.5963 0.1543 C.3 1 UNL11111 0.0640
7 H -0.3770 -1.6015 0.5802 H 1 UNL11111 0.1699
8 O -0.8043 -0.8528 -1.2167 O.3 1 UNL11111 -0.5538
9 C 0.5438 0.3873 0.3765 C.3 1 UNL11111 0.0837
10 H 0.5651 0.7638 1.4233 H 1 UNL11111 0.1495
11 O 0.4099 1.4762 -0.5156 O.3 1 UNL11111 -0.5765
12 C 1.8842 -0.2745 -0.0045 C.3 1 UNL11111 0.0788
13 H 1.7892 -0.9061 -0.9163 H 1 UNL11111 0.1445
14 O 2.1603 -1.1517 1.0714 O.3 1 UNL11111 -0.5735
15 C 2.9926 0.7769 -0.1479 C.3 1 UNL11111 -0.0509
16 O 4.2328 0.1085 -0.2614 O.3 1 UNL11111 -0.5508
17 H -3.1017 -1.8528 -0.0443 H 1 UNL11111 0.1348
18 H -2.8294 1.5800 0.0611 H 1 UNL11111 0.3529
19 H -0.6200 -0.0374 -1.7429 H 1 UNL11111 0.3423
20 H -0.4391 1.9417 -0.3058 H 1 UNL11111 0.3528
21 H 3.1334 -1.2087 1.2144 H 1 UNL11111 0.3446
22 H 2.8241 1.4482 -1.0081 H 1 UNL11111 0.1461
23 H 3.1182 1.3834 0.7690 H 1 UNL11111 0.1572
24 H 4.3093 -0.3449 -1.1240 H 1 UNL11111 0.3160
@<TRIPOS>BOND
1 19 8 1
2 8 6 1
3 24 16 1
4 22 15 1
5 13 12 1
6 11 20 1
7 11 9 1
8 1 2 2
9 16 15 1
10 15 12 1
11 15 23 1
12 17 2 1
13 12 9 1
14 12 14 1
15 2 3 1
16 18 5 1
17 6 9 1
18 6 7 1
19 6 3 1
20 9 10 1
21 5 3 1
22 3 4 1
23 14 21 1
Raw
GZCGUPFRVQAUEE-SLPGGIOYSA-N.sdf
d-(+)-glucose
OpenBabel04011510253D
24 23 0 0 1 0 0 0 0 0999 V2000
-3.9862 -0.0915 -0.4753 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1086 -0.7606 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9542 -0.0724 0.7328 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0091 -0.2416 1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0231 1.3296 0.5822 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6215 -0.5963 0.1543 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3770 -1.6015 0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8043 -0.8528 -1.2167 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5438 0.3873 0.3765 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5651 0.7638 1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4099 1.4762 -0.5156 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8842 -0.2745 -0.0045 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7892 -0.9061 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1603 -1.1517 1.0714 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9926 0.7769 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2328 0.1085 -0.2614 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1017 -1.8528 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8294 1.5800 0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6200 -0.0374 -1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4391 1.9417 -0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1334 -1.2087 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8241 1.4482 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1182 1.3834 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3093 -0.3449 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 1 0 0 0
5 3 1 0 0 0 0
6 9 1 0 0 0 0
6 7 1 1 0 0 0
6 3 1 0 0 0 0
8 6 1 0 0 0 0
9 10 1 1 0 0 0
11 20 1 0 0 0 0
11 9 1 0 0 0 0
12 13 1 6 0 0 0
12 9 1 0 0 0 0
12 14 1 0 0 0 0
14 21 1 0 0 0 0
15 12 1 0 0 0 0
15 23 1 0 0 0 0
16 15 1 0 0 0 0
17 2 1 0 0 0 0
18 5 1 0 0 0 0
19 8 1 0 0 0 0
22 15 1 0 0 0 0
24 16 1 0 0 0 0
M END
$$$$
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