| 6e5s_ligand |
| RDKit 3D |
|
|
| 50 50 0 0 0 0 0 0 0 0999 V2000 |
| -3.3472 -0.5846 1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4370 -0.4058 2.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8849 0.2341 3.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3054 1.6097 3.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4897 1.6789 2.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4981 0.6947 1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7189 0.7968 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4142 0.4996 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4160 0.5468 -1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6723 0.0608 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6504 -0.0036 -2.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8160 -0.6629 -1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8509 -0.7971 -2.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9011 -1.6149 -2.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0801 -1.9006 -3.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4218 -1.7591 1.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0851 -0.9609 0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7174 2.9656 2.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2080 1.1359 -2.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6700 -0.0234 -4.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2529 0.2278 2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8914 -1.3775 2.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1143 -0.4094 4.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6816 0.3304 4.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1296 2.3390 3.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6927 1.9225 4.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2872 1.0943 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0789 0.1688 1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0217 -0.3476 -0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4090 0.4916 -2.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0376 -1.1639 -1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9296 -2.1605 -1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9963 -1.8818 -3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9913 -2.9016 -4.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2107 -1.1784 -4.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8172 -1.5299 2.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7190 -1.9956 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9973 -2.6700 2.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6807 -0.1178 -0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7708 -1.8079 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3841 -1.2638 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4151 3.7991 2.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1649 3.1706 3.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9923 2.9730 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0552 0.5175 -2.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4728 1.2152 -3.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5698 2.1494 -2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4758 -0.1823 -4.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6252 1.0531 -4.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7457 -0.3205 -4.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 1 6 1 0 |
| 1 16 1 0 |
| 1 17 1 0 |
| 2 3 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 5 6 2 0 |
| 5 18 1 0 |
| 6 7 1 0 |
| 7 8 2 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 9 19 1 0 |
| 10 11 1 0 |
| 11 12 2 0 |
| 12 13 1 0 |
| 13 14 2 0 |
| 13 20 1 0 |
| 14 15 1 0 |
| 2 21 1 0 |
| 2 22 1 0 |
| 3 23 1 0 |
| 3 24 1 0 |
| 4 25 1 0 |
| 4 26 1 0 |
| 7 27 1 0 |
| 8 28 1 0 |
| 10 29 1 0 |
| 11 30 1 0 |
| 12 31 1 0 |
| 14 32 1 0 |
| 15 33 1 0 |
| 15 34 1 0 |
| 15 35 1 0 |
| 16 36 1 0 |
| 16 37 1 0 |
| 16 38 1 0 |
| 17 39 1 0 |
| 17 40 1 0 |
| 17 41 1 0 |
| 18 42 1 0 |
| 18 43 1 0 |
| 18 44 1 0 |
| 19 45 1 0 |
| 19 46 1 0 |
| 19 47 1 0 |
| 20 48 1 0 |
| 20 49 1 0 |
| 20 50 1 0 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
