| 6e3p_ligand |
| RDKit 3D |
|
|
| 30 32 0 0 0 0 0 0 0 0999 V2000 |
| 4.3205 -1.5420 3.1689 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 3.0648 -1.3311 3.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2004 -1.5870 4.0085 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6016 -0.6822 1.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3369 -0.7143 1.5046 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6925 -0.0392 0.9965 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 4.6720 -0.9914 0.5976 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1433 0.6791 -0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8279 1.3788 -0.9667 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7128 0.5201 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9215 -0.1407 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5192 -0.3140 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2914 0.7103 -0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1520 -1.5273 0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5048 -1.7246 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2547 -0.7014 -0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6592 0.5324 -0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4242 1.6287 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9773 2.6392 -2.1559 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0706 3.4111 -2.4698 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1758 2.9055 -1.9436 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7750 1.8039 -1.2971 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1797 0.7196 1.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9667 -1.3870 1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3785 0.9488 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8337 1.6755 -0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5813 -2.3273 0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9656 -2.6787 0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3015 -0.8959 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4487 1.2510 -0.7848 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 1 |
| 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 |
|
|
| $$$$ |
|
|
