6a1c_ligand RDKit 3D 40 42 0 0 0 0 0 0 0 0999 V2000 4.5667 0.6091 -0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0204 1.9780 -0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7027 2.2102 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7526 1.1311 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 -0.1282 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6223 -0.5408 0.1492 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9954 -1.9007 1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2682 1.3332 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5335 2.0536 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 3.9839 -0.4489 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -1.0406 1.4569 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7705 0.4400 -0.4604 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5767 0.4907 0.3946 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9013 0.8590 0.3039 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9434 0.0174 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0604 0.7262 -0.1494 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8054 1.9942 0.2997 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7556 3.3998 1.3887 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1709 4.4911 1.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8249 -1.3998 -0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9045 -2.2619 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8298 -3.6087 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6807 -4.1136 -1.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6116 -3.2754 -1.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6856 -1.9299 -1.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 2.7602 -0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 -0.9366 0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7386 -1.3375 -0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8936 -2.7335 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9196 -1.3508 1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0493 -2.3096 2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0671 2.2408 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6298 4.7718 0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8307 5.4018 2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9167 4.0061 2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2426 -1.9046 0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1122 -4.2643 0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6254 -5.1616 -1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2858 -3.6668 -2.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4257 -1.2906 -1.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 6 1 1 0 1 12 2 0 3 2 2 0 4 3 1 0 3 10 1 0 4 5 2 0 8 4 1 0 5 6 1 0 6 11 1 0 11 7 1 0 13 8 2 0 14 9 1 0 9 17 2 0 9 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 18 19 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 2 26 1 0 5 27 1 0 6 28 1 6 7 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 19 33 1 0 19 34 1 0 19 35 1 0 21 36 1 0 22 37 1 0 23 38 1 0 24 39 1 0 25 40 1 0 M END > <_TriposChargeType> (1) GAST_HUCK $$$$