6bqd_ligand RDKit 3D 46 48 0 0 0 0 0 0 0 0999 V2000 -3.5586 1.3362 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4054 -1.0172 -1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3594 0.3449 -0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5396 -0.6701 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -1.9386 -1.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5992 -3.1838 -1.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 -4.0490 -2.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 -2.0716 -1.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5492 1.4162 1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6075 1.2482 3.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6179 1.1669 1.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7513 0.2016 -0.7408 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -3.3620 -1.7281 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6196 -1.1863 -0.9474 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9067 -0.3787 -1.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 -0.4351 -2.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9281 -0.1457 -2.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6503 0.1938 -1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0064 0.2250 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6372 -0.0424 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7429 0.6170 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 1.5479 1.6366 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9141 -0.0612 1.3102 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -1.3866 0.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6932 0.4313 2.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1469 2.2585 -0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5797 1.2360 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9694 1.3333 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 -3.4355 -2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7094 -5.0933 -2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6079 1.7046 1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8695 0.2757 3.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6284 1.5410 3.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3443 1.9831 3.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5587 0.8688 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 -3.7352 -1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0101 -0.6925 -3.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4212 -0.1752 -3.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7054 0.4431 -1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1499 0.0105 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2379 -1.3243 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 -2.0668 1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5265 -1.7978 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7575 0.3062 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 1.4898 2.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4301 -0.1468 3.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 12 1 1 0 2 8 1 0 12 2 1 0 2 14 2 0 3 4 2 0 3 12 1 0 4 5 1 0 4 15 1 0 5 6 1 0 5 8 2 0 6 7 2 0 7 13 1 0 8 13 1 0 9 11 2 0 11 10 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 23 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 6 29 1 0 7 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 13 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 20 40 1 0 24 41 1 0 24 42 1 0 24 43 1 0 25 44 1 0 25 45 1 0 25 46 1 0 M END > <_TriposChargeType> (1) GAST_HUCK $$$$