| 6cf7_ligand |
| RDKit 3D |
|
|
| 68 73 0 0 0 0 0 0 0 0999 V2000 |
| 8.6445 0.1827 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8130 -1.2099 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6858 -2.0545 0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4107 -1.4755 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3011 -0.0973 0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1826 -2.1911 0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1638 0.2090 0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7785 0.1389 0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.4380 -2.2418 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.3200 -1.2367 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.5578 -0.0390 0.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.0741 -1.8400 0.1078 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3750 0.7776 0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9756 0.2154 0.3692 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1597 -2.0423 0.3035 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3468 -1.0029 0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8879 -0.9843 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7973 -2.1618 0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0690 -1.0239 0.3418 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0036 1.4117 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3576 2.3124 1.0759 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1262 1.5595 -0.5076 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7165 0.4986 -1.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9055 -0.1278 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0450 2.6583 -0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2596 2.1223 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9198 0.9696 -0.2165 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -5.1494 0.4282 0.5253 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -6.2465 1.4428 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8806 1.6851 1.8689 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5677 2.3376 -0.2786 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5014 3.1302 0.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6994 2.6891 1.4793 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6683 3.2948 2.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8141 -0.7401 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2794 -0.6439 -1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8434 -1.7495 -2.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9535 -2.9640 -1.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5075 -3.0763 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9429 -1.9746 0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4991 0.8554 0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7743 -3.1336 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7080 -3.1435 0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6609 1.1748 0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.1972 -2.9978 -0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.3541 -1.7317 -0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.6030 -2.7221 0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.0648 -2.8519 0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2484 1.8521 0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2266 -3.0882 0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9821 -0.2524 -1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0694 0.9621 -2.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6056 -0.5964 0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4019 -0.8554 -1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3647 3.0938 -1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5579 3.4503 0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0031 2.9134 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9640 1.7164 1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2820 1.3705 -1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7768 0.1046 1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7775 2.6809 3.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3139 4.2935 2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.6236 3.3547 1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2296 0.2903 -2.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2103 -1.6634 -3.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3999 -3.8224 -1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6077 -4.0249 0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6135 -2.0984 1.5052 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 |
|
|
| $$$$ |
|
|
