@MOLECULE 6-chloro-n-{2-oxo-1-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)ethyl]-3-piperidinyl}-2-naphthalenesulfonamide 68 73 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.8332 2.0428 1.6260 C.ar 1 UNL1 -0.1839 2 C 1.2948 2.5283 -1.7582 C.ar 1 UNL1 -0.0780 3 C 3.7524 1.0593 1.3577 C.ar 1 UNL1 -0.0211 4 C 0.3008 3.4328 -1.4839 C.ar 1 UNL1 -0.2148 5 C 3.0993 1.0241 -0.9735 C.ar 1 UNL1 -0.0531 6 C 0.9340 3.4494 0.8802 C.ar 1 UNL1 -0.2170 7 C 2.1339 2.0361 -0.7187 C.ar 1 UNL1 -0.0612 8 C 1.9749 2.5194 0.6002 C.ar 1 UNL1 0.0631 9 C 3.8581 0.5192 0.0519 C.ar 1 UNL1 -0.3893 10 C 0.1304 3.8506 -0.1471 C.ar 1 UNL1 0.0675 11 C -3.9690 -3.0196 1.7230 C.ar 1 UNL1 0.0243 12 C -3.8309 -3.5063 0.4584 C.ar 1 UNL1 -0.3800 13 C -4.0920 -1.6275 1.9408 C.ar 1 UNL1 -0.4074 14 C -4.0812 -0.7534 0.8702 C.ar 1 UNL1 0.2515 15 C -3.8242 -2.6283 -0.6817 C.ar 1 UNL1 0.5700 16 C 1.5712 -1.6043 0.7355 C.2 1 UNL1 0.5372 17 C -1.0653 0.0285 -0.0719 C.2 1 UNL1 0.5413 18 C 0.6688 -3.7596 -0.9807 C.3 1 UNL1 -0.2884 19 C 2.0564 -3.7966 -0.3408 C.3 1 UNL1 -0.2807 20 C -4.8049 1.4393 -0.0737 C.3 1 UNL1 -0.2835 21 C -0.3537 -2.9837 -0.1307 C.3 1 UNL1 -0.0678 22 C -2.7166 1.2842 1.3320 C.3 1 UNL1 -0.0747 23 C -3.9259 -0.3501 -1.6014 C.3 1 UNL1 -0.1003 24 C -2.5158 1.7158 -1.0685 C.3 1 UNL1 -0.0858 25 C -4.1558 0.7318 1.1201 C.3 1 UNL1 -0.1720 26 C 2.5338 -2.3395 -0.2123 C.3 1 UNL1 0.0335 27 C -3.9412 1.1580 -1.3064 C.3 1 UNL1 -0.1561 28 C -0.6962 -0.8611 1.1168 C.3 1 UNL1 -0.1705 29 N -3.9517 -1.2219 -0.4069 N.ar 1 UNL1 -0.3921 30 N 0.2261 -1.9068 0.6890 N.am 1 UNL1 -0.4669 31 N -1.8917 1.1338 0.1321 N.am 1 UNL1 -0.4813 32 N 3.9090 -2.2583 0.2500 N.3 1 UNL1 -0.8551 33 O -3.7070 -2.9371 -1.8498 O.2 1 UNL1 -0.5198 34 O 1.9762 -0.7832 1.5381 O.2 1 UNL1 -0.5692 35 O -0.6039 -0.1675 -1.1781 O.2 1 UNL1 -0.5256 36 O 5.1131 -0.9850 -1.6322 O.2 1 UNL1 -0.8908 37 O 5.9736 -0.8847 0.7437 O.2 1 UNL1 -0.8966 38 S 4.8907 -0.8827 -0.2107 S.O2 1 UNL1 2.3594 39 CL -1.1905 4.8939 0.1961 Cl 1 UNL1 -0.1137 40 H 2.7303 2.4490 2.6296 H 1 UNL1 0.1559 41 H 1.4460 2.1583 -2.7738 H 1 UNL1 0.1647 42 H 4.3939 0.6791 2.1603 H 1 UNL1 0.1701 43 H -0.3484 3.8166 -2.2684 H 1 UNL1 0.1724 44 H 3.1974 0.6548 -2.0021 H 1 UNL1 0.1756 45 H 0.7942 3.7984 1.9014 H 1 UNL1 0.1748 46 H -3.9825 -3.6899 2.5859 H 1 UNL1 0.1565 47 H -3.7341 -4.5672 0.2400 H 1 UNL1 0.1908 48 H -4.2053 -1.2563 2.9528 H 1 UNL1 0.1753 49 H 0.7321 -3.3045 -1.9916 H 1 UNL1 0.1594 50 H 0.2911 -4.7868 -1.1477 H 1 UNL1 0.1502 51 H 2.0350 -4.2993 0.6420 H 1 UNL1 0.1472 52 H 2.7680 -4.3752 -0.9619 H 1 UNL1 0.1644 53 H -5.8403 1.0803 -0.2265 H 1 UNL1 0.1523 54 H -4.8871 2.5266 0.1116 H 1 UNL1 0.1555 55 H -1.1389 -2.5688 -0.8098 H 1 UNL1 0.1549 56 H -0.8682 -3.6803 0.5749 H 1 UNL1 0.1416 57 H -2.7747 2.3750 1.5707 H 1 UNL1 0.1649 58 H -2.2377 0.8029 2.2096 H 1 UNL1 0.1497 59 H -4.8001 -0.6290 -2.2393 H 1 UNL1 0.1635 60 H -3.0126 -0.6167 -2.1995 H 1 UNL1 0.1886 61 H -1.8656 1.5280 -1.9565 H 1 UNL1 0.1766 62 H -2.5625 2.8200 -0.9383 H 1 UNL1 0.1546 63 H -4.7529 0.9283 2.0440 H 1 UNL1 0.1649 64 H 2.4447 -1.8471 -1.2274 H 1 UNL1 0.1791 65 H -4.3688 1.6804 -2.1970 H 1 UNL1 0.1555 66 H -0.2113 -0.2441 1.9201 H 1 UNL1 0.2025 67 H -1.6083 -1.3247 1.5627 H 1 UNL1 0.1768 68 H 4.0518 -2.6145 1.1906 H 1 UNL1 0.3107 @BOND 1 41 2 1 2 43 4 1 3 59 23 1 4 60 23 1 5 65 27 1 6 44 5 1 7 49 18 1 8 61 24 1 9 33 15 2 10 2 4 ar 11 2 7 ar 12 36 38 2 13 23 27 1 14 23 29 1 15 4 10 ar 16 27 24 1 17 27 20 1 18 64 26 1 19 35 17 2 20 50 18 1 21 24 62 1 22 24 31 1 23 18 19 1 24 18 21 1 25 5 7 ar 26 5 9 ar 27 52 19 1 28 55 21 1 29 7 8 ar 30 15 29 ar 31 15 12 ar 32 29 14 ar 33 19 26 1 34 19 51 1 35 53 20 1 36 26 32 1 37 26 16 1 38 38 9 1 39 38 32 1 40 38 37 2 41 10 39 1 42 10 6 ar 43 21 56 1 44 21 30 1 45 20 54 1 46 20 25 1 47 17 31 am 48 17 28 1 49 9 3 ar 50 31 22 1 51 47 12 1 52 32 68 1 53 12 11 ar 54 8 6 ar 55 8 1 ar 56 30 16 am 57 30 28 1 58 16 34 2 59 14 25 1 60 14 13 ar 61 6 45 1 62 28 67 1 63 28 66 1 64 25 22 1 65 25 63 1 66 22 57 1 67 22 58 1 68 3 1 ar 69 3 42 1 70 1 40 1 71 11 13 ar 72 11 46 1 73 13 48 1