| 6dyz_ligand |
| RDKit 3D |
|
|
| 42 44 0 0 0 0 0 0 0 0999 V2000 |
| 0.7305 -1.5639 -2.6539 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5556 -0.4617 -2.2695 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 0.6870 0.7936 -2.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1045 0.5795 -0.9609 N 0 0 1 0 0 4 0 0 0 0 0 0 |
| 0.7456 -0.2374 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9893 -0.6547 -0.8153 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 3.2223 0.1959 -0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8164 -0.0463 1.2234 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6771 -1.6508 1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7871 -1.6128 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7058 -1.5930 -0.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7476 1.8004 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7948 1.4869 0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7400 0.4311 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8510 -0.4926 -0.4626 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0780 2.1490 1.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1601 1.5358 2.3929 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5643 0.4702 1.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5815 -0.4573 1.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4502 -0.4967 2.8419 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7229 -1.3708 0.7956 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8770 -1.3401 -0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3097 -2.3029 -2.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3799 -0.3699 -2.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2724 1.7106 -2.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0216 0.8743 -3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8887 -0.0468 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9645 0.3643 0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1447 -1.1065 0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2080 -1.7120 -0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0333 -0.0017 -1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9860 1.2614 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9509 -2.4213 0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0557 -1.9114 2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5353 -1.5782 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2029 2.3420 -1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0502 2.4219 0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6263 3.0157 2.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6135 1.8319 3.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0681 -0.2578 3.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9996 -1.3515 2.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0431 -2.0968 -1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 2 6 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 4 12 1 0 |
| 5 6 1 0 |
| 6 7 1 0 |
| 7 8 1 0 |
| 8 9 1 0 |
| 9 10 1 0 |
| 10 11 3 0 |
| 12 13 1 0 |
| 13 14 1 0 |
| 13 16 2 0 |
| 14 15 2 0 |
| 14 18 1 0 |
| 15 22 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 18 19 2 0 |
| 19 20 1 0 |
| 19 21 1 0 |
| 21 22 2 0 |
| 1 23 1 0 |
| 2 24 1 6 |
| 3 25 1 0 |
| 3 26 1 0 |
| 4 27 1 6 |
| 5 28 1 0 |
| 5 29 1 0 |
| 6 30 1 6 |
| 7 31 1 0 |
| 7 32 1 0 |
| 9 33 1 0 |
| 9 34 1 0 |
| 11 35 1 0 |
| 12 36 1 0 |
| 12 37 1 0 |
| 16 38 1 0 |
| 17 39 1 0 |
| 20 40 1 0 |
| 20 41 1 0 |
| 22 42 1 0 |
| M CHG 1 4 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
