@MOLECULE omacetaxine mepesuccinate 39 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.4369 0.3379 -0.4524 O.3 1 UNL1 -0.4168 2 O -0.8799 2.8629 -1.3630 O.2 1 UNL1 -0.2548 3 O 2.0824 -3.3638 2.3726 O.2 1 UNL1 -0.3229 4 O 3.6249 -4.2438 1.0437 O.2 1 UNL1 -0.3174 5 O 0.7650 -1.4800 -1.1314 O.2 1 UNL1 -0.4224 6 O -2.1038 -1.6528 0.6181 O.2 1 UNL1 -0.4850 7 O -5.1607 -2.0153 -1.4340 O.2 1 UNL1 -0.4131 8 O -4.5978 1.6554 3.9054 O.2 2 UNL2 -0.4605 9 O -3.4916 -2.7120 -3.7876 O.3 1 UNL1 -0.3880 10 N 4.1648 2.5471 -1.1453 N.3 1 UNL1 -0.3905 11 C 2.2714 2.3830 0.1626 C.3 1 UNL1 -0.0546 12 C 1.8683 1.0465 0.0525 C.3 1 UNL1 -0.1254 13 C 3.0738 3.1556 0.9673 C.2 1 UNL1 0.0098 14 C 0.5237 1.1553 -0.4624 C.2 1 UNL1 0.4919 15 C 4.8139 3.6294 -0.6101 C.3 1 UNL1 0.4290 16 C 4.2114 3.6716 0.7540 C.2 1 UNL1 -0.1594 17 C 1.4093 3.3391 -0.7302 C.3 1 UNL1 0.1032 18 C 2.4710 -0.2581 0.2836 C.3 1 UNL1 -0.0235 19 C 4.1920 1.3658 -1.5488 C.3 1 UNL1 0.1605 20 C 0.3131 2.5484 -0.8019 C.2 1 UNL1 -0.2842 21 C 4.0854 0.0867 -1.4420 C.3 1 UNL1 -0.0468 22 C 3.5274 -0.8370 -0.6126 C.3 1 UNL1 0.0266 23 C 2.0379 -1.1102 1.2483 C.2 1 UNL1 0.0332 24 C 3.8790 -2.1546 -0.3813 C.2 1 UNL1 0.0484 25 C 2.4137 -2.3872 1.4783 C.2 1 UNL1 0.0875 26 C 3.4276 -2.9523 0.6006 C.2 1 UNL1 0.0661 27 C -0.3116 -1.1385 -0.8135 C.2 1 UNL1 0.4944 28 C -1.8984 -1.6284 -0.5573 C.2 1 UNL1 0.6870 29 C -1.8543 3.3887 -1.7218 C.3 1 UNL1 0.7804 30 C -1.6957 0.5403 1.7554 C.3 2 UNL2 0.5866 31 C 2.8272 -4.4734 2.0918 C.3 1 UNL1 0.4836 32 C -2.3978 -1.9444 -1.7449 C.1 1 UNL1 -0.8439 33 C -2.7462 1.1395 1.2711 C.1 2 UNL2 -0.8582 34 C -3.8569 1.5423 0.7911 C.1 2 UNL2 0.6487 35 C -4.9531 1.9995 0.2982 C.1 2 UNL2 -0.8457 36 C -2.9679 -2.3398 -2.8065 C.1 1 UNL1 0.6458 37 C -6.0601 2.4976 -0.1055 C.1 2 UNL2 0.4569 38 C -4.0510 1.1006 4.7555 C.2 2 UNL2 0.4605 39 C -5.8251 -2.2014 -0.5313 C.2 1 UNL1 0.4130 @BOND 1 9 36 1 2 36 32 3 3 32 28 1 4 29 2 1 5 19 21 1 6 19 10 1 7 21 22 1 8 7 39 2 9 2 20 1 10 10 15 1 11 5 27 2 12 27 28 1 13 27 1 1 14 20 17 1 15 20 14 2 16 17 11 1 17 22 24 1 18 22 18 1 19 15 16 1 20 28 6 2 21 14 1 1 22 14 12 1 23 24 26 2 24 37 35 3 25 12 11 1 26 12 18 1 27 11 13 1 28 18 23 1 29 35 34 1 30 26 4 1 31 26 25 1 32 16 13 2 33 34 33 3 34 4 31 1 35 23 25 2 36 33 30 1 37 25 3 1 38 31 3 1 39 8 38 2