| 6dz3_ligand | |
| RDKit 3D | |
| 64 67 0 0 0 0 0 0 0 0999 V2000 | |
| -2.5416 -0.7014 -3.0189 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9138 0.2053 -2.1028 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -2.9489 1.2630 -1.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8141 0.5215 -0.7520 N 0 0 2 0 0 4 0 0 0 0 0 0 | |
| -4.7526 1.3732 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8098 0.5875 0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5152 -0.5074 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3354 -1.0708 -1.0587 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1747 -2.1033 -1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1081 -2.5983 -0.4348 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2662 -2.0270 0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.2216 -2.5436 1.6254 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4456 -0.9564 1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.3060 -0.1826 2.2034 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3164 0.7548 2.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9037 -0.3734 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6351 -0.5476 -0.8007 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.3518 -0.1281 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2647 1.6193 0.4601 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9123 2.3414 -0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2547 1.6391 -0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0497 1.3996 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1952 0.4865 0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9764 -0.8313 -0.2011 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1528 -1.4173 -0.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0996 -0.4890 -0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5504 0.7243 0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5030 -0.8304 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0760 -1.3011 1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4935 -0.6475 0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.5308 -1.7624 0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8458 -1.2559 -3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0300 0.6278 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5282 2.1337 -1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5831 1.5680 -2.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4081 -0.1092 -1.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1533 1.9582 0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2252 2.0642 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0893 -2.6041 -2.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.7328 -1.8646 2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.8145 -3.2009 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.8441 -0.3048 3.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0751 1.4603 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7207 0.0905 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4300 -1.3225 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5241 -1.6193 -1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5130 -0.3965 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2694 -0.7250 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0939 3.3705 -0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3995 2.4113 -1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8652 2.2505 -1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1009 0.6985 -1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4012 2.3581 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4256 0.9422 1.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1414 1.6052 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5967 -1.6091 -1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0204 0.0643 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4721 -2.1347 1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9926 -0.4983 1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.3900 0.2091 1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.5271 -1.0036 0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.3235 -0.3049 -0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.8321 -2.1665 1.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.6170 -2.5812 0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 2 3 1 0 | |
| 2 17 1 0 | |
| 3 4 1 0 | |
| 4 5 1 0 | |
| 4 16 1 0 | |
| 5 6 1 0 | |
| 6 7 1 0 | |
| 6 15 2 0 | |
| 7 8 2 0 | |
| 7 13 1 0 | |
| 8 9 1 0 | |
| 9 10 2 0 | |
| 10 11 1 0 | |
| 11 12 1 0 | |
| 11 13 2 0 | |
| 13 14 1 0 | |
| 14 15 1 0 | |
| 16 17 1 0 | |
| 17 18 1 0 | |
| 18 19 1 0 | |
| 19 20 1 0 | |
| 20 21 1 0 | |
| 21 22 1 0 | |
| 22 23 1 0 | |
| 23 24 1 0 | |
| 23 27 2 0 | |
| 24 25 2 0 | |
| 25 26 1 0 | |
| 26 27 1 0 | |
| 26 28 1 0 | |
| 28 29 1 0 | |
| 29 31 1 0 | |
| 31 30 1 0 | |
| 1 32 1 0 | |
| 2 33 1 6 | |
| 3 34 1 0 | |
| 3 35 1 0 | |
| 4 36 1 6 | |
| 5 37 1 0 | |
| 5 38 1 0 | |
| 9 39 1 0 | |
| 12 40 1 0 | |
| 12 41 1 0 | |
| 14 42 1 0 | |
| 15 43 1 0 | |
| 16 44 1 0 | |
| 16 45 1 0 | |
| 17 46 1 6 | |
| 18 47 1 0 | |
| 18 48 1 0 | |
| 20 49 1 0 | |
| 20 50 1 0 | |
| 21 51 1 0 | |
| 21 52 1 0 | |
| 22 53 1 0 | |
| 22 54 1 0 | |
| 27 55 1 0 | |
| 28 56 1 0 | |
| 28 57 1 0 | |
| 29 58 1 0 | |
| 29 59 1 0 | |
| 30 60 1 0 | |
| 30 61 1 0 | |
| 30 62 1 0 | |
| 31 63 1 0 | |
| 31 64 1 0 | |
| M CHG 1 4 1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |