| 6cjs_ligand | |
| RDKit 3D | |
| 66 69 0 0 0 0 0 0 0 0999 V2000 | |
| -4.6393 -0.7568 1.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0419 -0.2417 1.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7499 -1.2180 0.5884 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1587 -1.3928 -0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6275 -1.5363 -0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2410 -1.8812 0.7828 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -2.8430 -2.4054 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7434 -1.4308 0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2036 -0.6080 1.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2392 0.3524 1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2635 -1.3011 -0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2996 -0.3390 -0.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2073 0.5024 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1783 1.5262 -0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0928 2.9480 -0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0258 3.7690 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0707 3.2888 0.6987 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2057 5.1282 0.1984 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6866 6.0918 0.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4664 7.4805 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2257 3.5189 -0.6686 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0473 2.4848 -1.0598 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4251 1.2903 -0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1949 0.1142 -1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1751 -1.0285 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8462 -2.2144 -0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7939 -3.4360 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3539 -3.9050 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5027 -3.1707 1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5638 -2.2252 -1.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2258 -3.3613 -2.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6128 -1.1007 -2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9359 0.0593 -2.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0295 1.1060 -3.3143 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6302 -1.1860 2.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9066 0.0518 1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6146 -0.0367 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9809 0.6957 0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5972 -2.2992 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4411 -0.5550 -1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1326 -0.5943 -0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2759 -2.3312 -1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8743 -2.6521 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7574 -3.3032 0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7683 -2.7403 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5321 -0.6899 2.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1489 0.9936 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6313 -1.9406 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0469 -0.2474 -2.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1553 5.4064 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4979 6.0853 1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7221 5.7742 0.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1445 8.1980 0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5619 7.8156 0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6458 7.4955 -0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6323 -0.9985 0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3176 -4.2714 -0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7653 -3.1700 0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3438 -4.8392 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8420 -4.0887 -0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5220 -4.0781 2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5391 -2.8555 1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0041 -2.3874 2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7340 -3.1839 -3.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1691 -1.1082 -3.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7204 1.9218 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 1 6 1 0 | |
| 2 3 1 0 | |
| 3 4 1 0 | |
| 4 5 1 0 | |
| 5 6 1 0 | |
| 6 7 1 0 | |
| 7 8 1 0 | |
| 8 9 2 0 | |
| 8 11 1 0 | |
| 9 10 1 0 | |
| 10 13 2 0 | |
| 11 12 2 0 | |
| 12 13 1 0 | |
| 13 14 1 0 | |
| 14 15 1 0 | |
| 14 23 2 0 | |
| 15 16 1 0 | |
| 15 21 2 0 | |
| 16 17 2 0 | |
| 16 18 1 0 | |
| 18 19 1 0 | |
| 19 20 1 0 | |
| 21 22 1 0 | |
| 22 23 1 0 | |
| 23 24 1 0 | |
| 24 25 2 0 | |
| 24 33 1 0 | |
| 25 26 1 0 | |
| 26 27 1 0 | |
| 26 30 2 0 | |
| 27 28 1 0 | |
| 27 29 1 0 | |
| 30 31 1 0 | |
| 30 32 1 0 | |
| 32 33 2 0 | |
| 33 34 1 0 | |
| 1 35 1 0 | |
| 1 36 1 0 | |
| 2 37 1 0 | |
| 2 38 1 0 | |
| 4 39 1 0 | |
| 4 40 1 0 | |
| 5 41 1 0 | |
| 5 42 1 0 | |
| 6 43 1 0 | |
| 7 44 1 0 | |
| 7 45 1 0 | |
| 9 46 1 0 | |
| 10 47 1 0 | |
| 11 48 1 0 | |
| 12 49 1 0 | |
| 18 50 1 0 | |
| 19 51 1 0 | |
| 19 52 1 0 | |
| 20 53 1 0 | |
| 20 54 1 0 | |
| 20 55 1 0 | |
| 25 56 1 0 | |
| 27 57 1 0 | |
| 28 58 1 0 | |
| 28 59 1 0 | |
| 28 60 1 0 | |
| 29 61 1 0 | |
| 29 62 1 0 | |
| 29 63 1 0 | |
| 31 64 1 0 | |
| 32 65 1 0 | |
| 34 66 1 0 | |
| M CHG 1 6 1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |