| 6cf7_ligand | |
| RDKit 3D | |
| 68 73 0 0 0 0 0 0 0 0999 V2000 | |
| 8.9582 -0.6753 1.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8357 -1.0605 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5775 -1.0106 -0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4675 -0.5806 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6420 -0.2217 1.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6778 0.5583 2.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2553 0.2133 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9121 0.4359 0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.0864 -2.2564 -1.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.2414 -1.6485 -0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.7361 -1.3082 0.5738 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.9165 -1.5261 -0.8749 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8564 -0.2434 2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4260 0.1382 1.8395 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1462 -0.4434 -0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5716 -0.0228 0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1614 0.2586 1.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3208 0.7799 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4193 0.7150 1.4661 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0650 0.4391 -0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3068 0.8240 -2.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3912 0.0478 -0.6804 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7702 -0.9669 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1679 -0.6977 0.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3552 0.2709 -1.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7689 0.5375 -1.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1734 -0.5806 -0.2608 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -5.6127 -0.5132 0.2607 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -6.0166 0.6303 1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5508 1.8914 1.0546 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8251 0.4367 2.2385 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9285 1.6096 2.8441 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1897 2.4538 2.1075 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0636 3.8459 2.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6425 -0.6584 -0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0134 -1.9561 -1.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9150 -2.1489 -2.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.4608 -1.0523 -2.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1002 0.2366 -2.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1961 0.4354 -1.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.9193 -0.7089 1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4419 -1.2946 -1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3428 0.6185 3.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5915 0.0100 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.1372 -1.5726 -2.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.6602 -3.2143 -1.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.0989 -2.4336 -1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.6889 -1.8294 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9501 0.0470 3.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9158 1.0220 3.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7639 -1.9301 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0488 -1.0652 1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4864 -1.5276 1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1913 0.2406 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3501 -0.6226 -2.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0464 1.1209 -2.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7875 1.4809 -0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4816 0.5631 -2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1349 -1.4471 -0.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7003 -1.4137 0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0625 4.2894 2.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4429 4.3456 1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5962 3.9182 3.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6186 -2.8422 -0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2006 -3.1559 -2.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.1702 -1.2036 -3.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.5336 1.0906 -3.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9462 1.4640 -1.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2 1 2 0 | |
| 13 1 1 0 | |
| 3 2 1 0 | |
| 2 12 1 0 | |
| 4 3 2 0 | |
| 4 5 1 0 | |
| 15 4 1 0 | |
| 5 13 2 0 | |
| 14 5 1 0 | |
| 17 6 2 0 | |
| 6 18 1 0 | |
| 7 8 2 0 | |
| 17 7 1 0 | |
| 8 19 1 0 | |
| 8 20 1 0 | |
| 10 9 1 0 | |
| 10 11 2 0 | |
| 12 10 1 0 | |
| 16 14 1 0 | |
| 16 15 2 0 | |
| 16 17 1 0 | |
| 18 19 2 0 | |
| 20 21 2 0 | |
| 20 22 1 0 | |
| 22 23 1 0 | |
| 22 25 1 0 | |
| 23 24 1 0 | |
| 24 27 1 0 | |
| 25 26 1 0 | |
| 26 27 1 0 | |
| 27 28 1 0 | |
| 28 29 1 0 | |
| 28 35 1 0 | |
| 29 30 2 0 | |
| 29 31 1 0 | |
| 30 33 1 0 | |
| 31 32 2 0 | |
| 32 33 1 0 | |
| 33 34 1 0 | |
| 35 36 2 0 | |
| 35 40 1 0 | |
| 36 37 1 0 | |
| 37 38 2 0 | |
| 38 39 1 0 | |
| 39 40 2 0 | |
| 1 41 1 0 | |
| 3 42 1 0 | |
| 6 43 1 0 | |
| 7 44 1 0 | |
| 9 45 1 0 | |
| 9 46 1 0 | |
| 9 47 1 0 | |
| 12 48 1 0 | |
| 13 49 1 0 | |
| 18 50 1 0 | |
| 23 51 1 0 | |
| 23 52 1 0 | |
| 24 53 1 0 | |
| 24 54 1 0 | |
| 25 55 1 0 | |
| 25 56 1 0 | |
| 26 57 1 0 | |
| 26 58 1 0 | |
| 27 59 1 0 | |
| 28 60 1 1 | |
| 34 61 1 0 | |
| 34 62 1 0 | |
| 34 63 1 0 | |
| 36 64 1 0 | |
| 37 65 1 0 | |
| 38 66 1 0 | |
| 39 67 1 0 | |
| 40 68 1 0 | |
| M CHG 1 27 1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |