@MOLECULE 7-chloro-8a-isocyano-5,5,8,11,11-pentamethyl-8-vinyl-1,5,5a,6,7,8,8a,11-octahydro-8bh-1-azacyclohepta[mno]aceanthrylen-8b-ol 30 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.3046 -3.8393 -0.2225 C.ar 1 UNL1 0.0900 2 C 2.5788 -3.8972 -0.5622 C.ar 1 UNL1 -0.0592 3 C 3.3492 -2.8605 -0.6508 C.ar 1 UNL1 0.0601 4 C 0.7530 -2.6208 0.0682 C.ar 1 UNL1 -0.0718 5 C 3.0115 -1.5377 -0.3722 C.ar 1 UNL1 0.1027 6 N 4.0374 -0.6307 -0.6282 N.pl3 1 UNL1 -0.2348 7 C 4.0342 0.5429 -0.0074 C.3 1 UNL1 0.1158 8 C 1.6020 -1.4138 0.0286 C.ar 1 UNL1 0.0123 9 C 3.0217 0.7595 0.9882 C.3 1 UNL1 0.0892 10 C -1.8062 -2.8826 0.2499 C.2 1 UNL1 -0.2745 11 C -0.5926 -2.2761 0.3428 C.3 1 UNL1 0.0457 12 C 0.6982 -0.3445 0.3241 C.3 1 UNL1 -0.1685 13 C 0.7398 1.0241 0.5211 C.3 1 UNL1 0.1370 14 C -1.6568 1.3079 0.0464 C.2 1 UNL1 0.1108 15 C -1.8534 -0.0686 0.2341 C.2 1 UNL1 -0.1307 16 C -3.0500 -0.7776 0.0938 C.2 1 UNL1 0.0458 17 C 1.1656 3.6446 0.0221 C.2 1 UNL1 -0.0337 18 C 2.3769 2.9882 0.1870 C.3 1 UNL1 0.0763 19 C 2.0111 1.6560 0.7195 C.3 1 UNL1 -0.1281 20 C 4.4281 1.8488 -0.3595 C.2 1 UNL1 -0.0132 21 C 3.6974 2.9108 -0.2429 C.2 1 UNL1 -0.0182 22 C -4.0135 2.5346 -0.9140 C.3 1 UNL1 0.2779 23 C -2.6461 2.2327 -0.3488 C.2 1 UNL1 -0.3237 24 C -3.0549 3.4868 -0.5240 C.3 1 UNL1 -0.0022 25 CL -4.5340 -0.0201 -0.1417 Cl 1 UNL1 0.0131 26 C -3.0003 -2.1505 0.1557 C.2 1 UNL1 -0.2918 27 C -3.0756 -3.5933 0.1978 C.3 1 UNL1 0.3889 28 O -0.6643 -0.8648 0.5807 O.2 1 UNL1 0.2329 29 N -0.4025 1.8466 0.3012 N.pl3 1 UNL1 -0.1309 30 C 0.0063 3.1188 0.0510 C.2 1 UNL1 0.0826 @BOND 1 22 24 1 2 22 23 1 3 3 2 ar 4 3 5 ar 5 6 5 1 6 6 7 1 7 2 1 ar 8 24 23 1 9 5 8 ar 10 20 21 2 11 20 7 1 12 23 14 2 13 21 18 1 14 1 4 ar 15 25 16 1 16 7 9 1 17 17 30 2 18 17 18 1 19 8 4 ar 20 8 12 1 21 14 15 1 22 14 29 1 23 30 29 1 24 4 11 1 25 16 26 1 26 16 15 2 27 26 27 1 28 26 10 2 29 18 19 1 30 27 10 1 31 15 28 1 32 10 11 1 33 29 13 1 34 12 13 1 35 11 28 1 36 13 19 1 37 19 9 1