@MOLECULE BindingDB_22424 62 64 0 0 0 SMALL NO_CHARGES @ATOM 1 C -14.2636 59.6381 -11.8920 C 2 C -14.7942 59.7865 -10.5961 C 3 C -15.9662 59.0955 -10.2218 C 4 C -16.6358 58.2440 -11.1333 C 5 C -16.1154 58.1448 -12.4487 C 6 C -14.9256 58.8058 -12.8133 C 7 O -13.0432 60.1578 -12.2109 O 8 C -13.0048 61.5607 -12.5482 C 9 C -11.5120 61.9756 -12.5431 C 10 N -11.2085 63.1522 -13.4272 N 11 C -10.0336 63.9482 -12.9604 C 12 C -11.0839 62.7951 -14.8735 C 13 C -17.8161 57.5564 -10.7790 C 14 C -17.9798 56.2057 -10.9412 C 15 C -16.8570 55.3761 -11.0621 C 16 C -14.6857 54.6204 -10.1918 C 17 C -15.8943 55.3276 -10.0212 C 18 C -16.5953 54.6669 -12.2533 C 19 C -15.4063 53.9193 -12.4068 C 20 C -14.4454 53.9073 -11.3799 C 21 C -19.3367 55.6168 -11.0676 C 22 C -18.8812 58.3778 -10.3707 C 23 C -19.4279 59.3513 -11.2449 C 24 C -20.5287 60.1368 -10.8478 C 25 C -21.1065 59.9540 -9.5803 C 26 C -20.5542 59.0150 -8.6913 C 27 C -19.4442 58.2439 -9.0773 C 28 O -22.2086 60.6433 -9.2008 O 29 C -19.5783 54.1418 -11.5020 C 30 C -19.9123 53.1753 -10.3327 C 31 Cl -20.4849 51.6366 -10.9426 Cl 32 H -14.3087 60.3771 -9.9168 H 33 H -16.3041 59.2027 -9.2615 H 34 H -16.5970 57.5819 -13.1577 H 35 H -14.5402 58.6686 -13.7497 H 36 H -13.4434 61.7463 -13.5334 H 37 H -13.5521 62.1377 -11.7967 H 38 H -11.2500 62.1929 -11.5022 H 39 H -10.9068 61.1161 -12.8398 H 40 H -12.0057 63.7843 -13.3626 H 41 H -10.2007 64.2932 -11.9373 H 42 H -9.8915 64.8350 -13.5798 H 43 H -9.1156 63.3520 -12.9819 H 44 H -10.2575 62.0981 -15.0395 H 45 H -10.9082 63.6833 -15.4840 H 46 H -12.0056 62.3359 -15.2343 H 47 H -13.9775 54.6494 -9.4615 H 48 H -16.0439 55.8374 -9.1444 H 49 H -17.2195 54.7397 -13.0522 H 50 H -15.2210 53.4178 -13.2846 H 51 H -13.5577 53.4056 -11.5119 H 52 H -19.8484 55.7299 -10.1127 H 53 H -19.8826 56.2522 -11.7734 H 54 H -19.0457 59.4837 -12.1855 H 55 H -20.9180 60.8279 -11.4992 H 56 H -20.9671 58.8810 -7.7644 H 57 H -19.0619 57.5664 -8.4154 H 58 H -22.0702 61.5574 -9.5181 H 59 H -20.4288 54.1271 -12.2080 H 60 H -18.7199 53.7548 -12.0603 H 61 H -19.0293 53.0148 -9.7113 H 62 H -20.6914 53.6100 -9.7112 H @BOND 1 1 2 2 2 1 6 1 3 1 7 1 4 2 3 1 5 3 4 2 6 4 5 1 7 4 13 1 8 5 6 2 9 7 8 1 10 8 9 1 11 9 10 1 12 10 11 1 13 10 12 1 14 13 14 2 15 13 22 1 16 14 15 1 17 14 21 1 18 15 17 2 19 15 18 1 20 16 17 1 21 16 20 2 22 18 19 2 23 19 20 1 24 21 29 1 25 22 23 1 26 22 27 2 27 23 24 2 28 24 25 1 29 25 26 2 30 25 28 1 31 26 27 1 32 29 30 1 33 30 31 1 34 2 32 1 35 3 33 1 36 5 34 1 37 6 35 1 38 8 36 1 39 8 37 1 40 9 38 1 41 9 39 1 42 10 40 1 43 11 41 1 44 11 42 1 45 11 43 1 46 12 44 1 47 12 45 1 48 12 46 1 49 16 47 1 50 17 48 1 51 18 49 1 52 19 50 1 53 20 51 1 54 21 52 1 55 21 53 1 56 23 54 1 57 24 55 1 58 26 56 1 59 27 57 1 60 28 58 1 61 29 59 1 62 29 60 1 63 30 61 1 64 30 62 1 @PROPERTY_DATA Total_Score | 8.8733 Crash | -4.1226 Polar | 4.1764 FragIndex | 1 FragRMSD | 0.575