| 6a1c_ligand | |
| RDKit 3D | |
| 40 42 0 0 0 0 0 0 0 0999 V2000 | |
| 4.5064 -0.2172 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9298 0.1071 -1.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6299 0.4078 -1.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7282 0.4263 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1791 0.1673 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6010 -0.1735 1.1934 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.0634 0.3360 2.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2851 0.8053 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3386 2.1594 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9708 0.7522 -3.2432 Br 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0202 0.7992 2.1428 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6999 -0.5187 -0.0033 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6194 0.3764 0.3385 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8896 0.8604 0.1107 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0547 0.0953 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0730 0.8777 -0.2301 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6263 2.1683 -0.3241 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3386 3.5708 0.0809 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5787 4.8757 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1492 -1.3534 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1595 -2.0766 -0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2930 -3.4553 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4220 -4.1310 0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4235 -3.4280 1.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2908 -2.0481 1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6210 0.0722 -2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5073 0.2134 1.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6013 -1.1780 1.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7468 -0.5565 3.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2863 1.1239 3.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9731 0.1285 2.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0328 1.4506 -1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0676 4.8240 -1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0886 5.8490 0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3310 4.7948 0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8550 -1.5633 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0806 -3.9968 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5267 -5.2028 0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7501 -3.9511 2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5150 -1.5269 1.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2 1 1 0 | |
| 6 1 1 0 | |
| 1 12 2 0 | |
| 3 2 2 0 | |
| 4 3 1 0 | |
| 3 10 1 0 | |
| 4 5 2 0 | |
| 8 4 1 0 | |
| 5 6 1 0 | |
| 6 11 1 0 | |
| 11 7 1 0 | |
| 13 8 2 0 | |
| 14 9 1 0 | |
| 9 17 2 0 | |
| 9 18 1 0 | |
| 13 14 1 0 | |
| 14 15 1 0 | |
| 15 16 2 0 | |
| 15 20 1 0 | |
| 16 17 1 0 | |
| 18 19 1 0 | |
| 20 21 2 0 | |
| 20 25 1 0 | |
| 21 22 1 0 | |
| 22 23 2 0 | |
| 23 24 1 0 | |
| 24 25 2 0 | |
| 2 26 1 0 | |
| 5 27 1 0 | |
| 6 28 1 1 | |
| 7 29 1 0 | |
| 7 30 1 0 | |
| 7 31 1 0 | |
| 8 32 1 0 | |
| 19 33 1 0 | |
| 19 34 1 0 | |
| 19 35 1 0 | |
| 21 36 1 0 | |
| 22 37 1 0 | |
| 23 38 1 0 | |
| 24 39 1 0 | |
| 25 40 1 0 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |