Created
November 10, 2015 15:36
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| @<TRIPOS>MOLECULE | |
| pary/165D/ligand.pdb | |
| 57 54 0 0 0 | |
| SMALL | |
| GASTEIGER | |
| @<TRIPOS>ATOM | |
| 1 RH -2.4540 0.1530 21.4230 Rh 19 RHD19 0.0000 | |
| 2 N1 -0.6230 -0.6450 20.7690 N.3 19 RHD19 0.0000 | |
| 3 N2 -3.4790 -1.1210 20.1210 N.3 19 RHD19 0.0000 | |
| 4 N3 -4.2520 0.9580 22.1420 N.3 19 RHD19 0.0000 | |
| 5 N4 -1.4050 1.4020 22.7740 N.3 19 RHD19 0.0000 | |
| 6 N5 -2.5080 -1.3370 22.9170 N.3 19 RHD19 0.0000 | |
| 7 N6 -2.3590 1.6490 19.9810 N.3 19 RHD19 0.0000 | |
| 8 RH 1.4190 -6.3550 28.9460 Rh 20 RHD20 0.0000 | |
| 9 N1 2.7810 -6.9980 30.4100 N.3 20 RHD20 0.0000 | |
| 10 N2 1.7340 -8.1460 27.8780 N.3 20 RHD20 0.0000 | |
| 11 N3 0.0140 -5.7540 27.5040 N.3 20 RHD20 0.0000 | |
| 12 N4 1.1200 -4.5880 30.0420 N.3 20 RHD20 0.0000 | |
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| 15 RH -6.7000 12.0130 36.9490 Rh 22 RHD22 0.0000 | |
| 16 N1 -5.5060 13.3630 35.8710 N.3 22 RHD22 0.0000 | |
| 17 N2 -5.9200 10.4300 35.8160 N.3 22 RHD22 0.0000 | |
| 18 N3 -7.8860 10.6550 38.0190 N.3 22 RHD22 0.0000 | |
| 19 N4 -7.4670 13.6050 38.0820 N.3 22 RHD22 0.0000 | |
| 20 N5 -5.1580 11.7670 38.3560 N.3 22 RHD22 0.0000 | |
| 21 N6 -8.2370 12.2390 35.5420 N.3 22 RHD22 0.0000 | |
| 22 H -0.2808 -0.1043 19.9747 H 19 RHD19 0.0000 | |
| 23 H -0.7567 -1.6161 20.4870 H 19 RHD19 0.0000 | |
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| 29 H -0.5314 0.9510 23.0457 H 19 RHD19 0.0000 | |
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| 31 H -3.0011 -0.9801 23.7355 H 19 RHD19 0.0000 | |
| 32 H -3.0292 1.4487 19.2387 H 19 RHD19 0.0000 | |
| 33 H -1.4180 1.6842 19.5891 H 19 RHD19 0.0000 | |
| 34 H 3.7197 -6.6857 30.1617 H 20 RHD20 0.0000 | |
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| 36 H 1.1618 -8.1435 27.0337 H 20 RHD20 0.0000 | |
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| 38 H 0.4164 -5.0185 26.9231 H 20 RHD20 0.0000 | |
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| 40 H 0.4461 -3.9964 29.5560 H 20 RHD20 0.0000 | |
| 41 H 2.0057 -4.0904 30.1331 H 20 RHD20 0.0000 | |
| 42 H -0.9450 -7.2065 29.6796 H 20 RHD20 0.0000 | |
| 43 H -0.0480 -6.8899 31.0469 H 20 RHD20 0.0000 | |
| 44 H 2.5309 -5.0254 26.9772 H 20 RHD20 0.0000 | |
| 45 H 3.6211 -6.1545 27.5350 H 20 RHD20 0.0000 | |
| 46 H -6.0192 13.6930 35.0536 H 22 RHD22 0.0000 | |
| 47 H -4.6511 12.8952 35.5697 H 22 RHD22 0.0000 | |
| 48 H -6.4992 10.2862 34.9888 H 22 RHD22 0.0000 | |
| 49 H -5.9142 9.5795 36.3790 H 22 RHD22 0.0000 | |
| 50 H -8.7852 10.5458 37.5500 H 22 RHD22 0.0000 | |
| 51 H -8.0363 11.0064 38.9647 H 22 RHD22 0.0000 | |
| 52 H -8.2983 13.9787 37.6241 H 22 RHD22 0.0000 | |
| 53 H -6.7623 14.3384 38.1585 H 22 RHD22 0.0000 | |
| 54 H -4.5540 10.9974 38.0674 H 22 RHD22 0.0000 | |
| 55 H -5.5613 11.5586 39.2694 H 22 RHD22 0.0000 | |
| 56 H -8.5218 13.2177 35.5038 H 22 RHD22 0.0000 | |
| 57 H -9.0340 11.6633 35.8137 H 22 RHD22 0.0000 | |
| @<TRIPOS>BOND | |
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| 54 21 57 1 |
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