| 6dz0_ligand |
| RDKit 3D |
|
|
| 48 50 0 0 0 0 0 0 0 0999 V2000 |
| -7.1123 0.3909 1.3545 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8292 0.7519 0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2845 1.8463 1.5411 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0370 2.2030 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2152 1.5817 0.3129 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0592 0.0479 0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7837 0.4837 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2766 -1.1049 -0.6335 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1624 -1.4049 -1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2084 -0.4275 -1.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8482 -0.3092 -1.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8146 0.1157 -0.7496 N 0 0 1 0 0 4 0 0 0 0 0 0 |
| -0.5174 -0.8679 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8539 -0.3996 0.8416 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.6877 0.8252 1.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5034 0.5812 -1.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5922 -0.0870 -0.4604 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.1647 -1.3085 -1.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3159 -2.2833 -0.1798 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9310 -1.7181 -0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2519 -0.2457 -0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3562 0.1230 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5865 1.5669 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7778 2.7446 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5298 1.1305 1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7055 0.0754 0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6484 3.1009 1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1235 -1.6587 -0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1570 -2.2884 -2.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5089 -1.2549 -2.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8612 0.4529 -2.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2217 0.9333 -0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4964 -1.8738 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3002 -0.7709 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3289 -1.1289 1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4903 0.9640 2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5168 1.6719 -1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5567 0.3107 -2.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3930 0.6407 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3581 -1.9883 -1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6578 -0.9983 -2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7023 -2.3416 -0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9583 -1.9321 -1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5182 0.3916 -1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2124 -0.0230 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4385 -0.1433 1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1746 -0.4391 1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9647 3.7871 1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 2 0 |
| 2 6 1 0 |
| 3 4 1 0 |
| 4 5 2 0 |
| 5 7 1 0 |
| 6 7 2 0 |
| 6 8 1 0 |
| 7 10 1 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 12 13 1 0 |
| 12 16 1 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 14 17 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 1 0 |
| 22 23 1 0 |
| 23 24 3 0 |
| 1 25 1 0 |
| 1 26 1 0 |
| 4 27 1 0 |
| 8 28 1 0 |
| 9 29 1 0 |
| 11 30 1 0 |
| 11 31 1 0 |
| 12 32 1 1 |
| 13 33 1 0 |
| 13 34 1 0 |
| 14 35 1 1 |
| 15 36 1 0 |
| 16 37 1 0 |
| 16 38 1 0 |
| 17 39 1 1 |
| 18 40 1 0 |
| 18 41 1 0 |
| 20 42 1 0 |
| 20 43 1 0 |
| 21 44 1 0 |
| 21 45 1 0 |
| 22 46 1 0 |
| 22 47 1 0 |
| 24 48 1 0 |
| M CHG 1 12 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
