| 6e3p_ligand |
| RDKit 3D |
|
|
| 30 32 0 0 0 0 0 0 0 0999 V2000 |
| 4.2781 0.0755 3.3778 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 3.8583 0.7057 2.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2097 1.8510 1.9444 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8388 -0.0685 1.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9871 0.5777 0.7878 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9120 -1.5698 1.6835 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 2.5856 -1.9627 3.0129 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0104 -2.2811 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0203 -3.5000 0.5125 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0408 -1.4710 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0770 -0.1374 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0831 0.6516 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2964 0.4347 -0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5154 1.6575 -1.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4072 2.4064 -2.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7741 2.1696 -2.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2372 1.1946 -1.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6735 1.0015 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6431 1.3641 -1.9090 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8230 0.9820 -1.3182 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6017 0.4058 -0.1468 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2704 0.4267 0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9400 -1.8838 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2206 -1.4414 3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3391 -2.0098 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6172 -0.3341 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5804 1.8630 -1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0591 3.1827 -2.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4813 2.7698 -2.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8552 0.0617 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 2 0 |
| 2 4 1 0 |
| 4 5 2 0 |
| 4 6 1 0 |
| 5 11 1 0 |
| 6 7 1 0 |
| 6 8 1 0 |
| 8 9 2 0 |
| 8 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 12 14 1 0 |
| 13 17 1 0 |
| 14 15 2 0 |
| 15 16 1 0 |
| 16 17 2 0 |
| 17 18 1 0 |
| 18 19 2 0 |
| 18 22 1 0 |
| 19 20 1 0 |
| 20 21 2 0 |
| 21 22 1 0 |
| 6 23 1 6 |
| 7 24 1 0 |
| 10 25 1 0 |
| 13 26 1 0 |
| 14 27 1 0 |
| 15 28 1 0 |
| 16 29 1 0 |
| 22 30 1 0 |
| M CHG 1 1 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
