| 6e5s_ligand |
| RDKit 3D |
|
|
| 50 50 0 0 0 0 0 0 0 0999 V2000 |
| -3.3233 -0.5885 2.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6806 -0.2926 3.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2197 1.1152 3.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1924 2.1482 3.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4783 1.8130 1.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5258 0.5786 1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8285 0.2652 0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4889 0.2349 0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2835 -0.0965 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6312 -0.0791 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5892 -0.3711 -2.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9178 -0.3133 -1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9615 -0.5883 -2.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2511 -0.4821 -2.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4897 -0.7091 -3.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5223 -1.9124 2.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6223 -0.8078 1.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7417 2.9993 1.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4942 -0.4312 -2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5231 -0.9722 -4.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4180 -1.0175 3.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7894 -0.4137 4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1509 1.2479 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4696 1.2782 4.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7031 3.1144 3.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4347 2.2646 4.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4719 0.0057 -0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0926 0.4758 0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0842 0.1815 -0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2009 -0.6449 -3.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2763 -0.0355 -0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4700 -0.1964 -1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3029 -1.0200 -4.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0800 0.2120 -3.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0983 -1.4850 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3317 -2.2779 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0718 -2.7030 2.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5545 -1.7923 2.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4112 -1.1607 0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2602 -1.5616 1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2074 0.1138 1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4153 3.8599 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3472 2.8301 0.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9051 3.2732 2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1368 0.4085 -2.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1220 -1.3141 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1334 -0.6515 -3.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9327 -1.8949 -4.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3521 -1.1493 -5.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9144 -0.1766 -4.7677 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 |
|
|
| $$$$ |
|
|
