@MOLECULE 3-iodo-5-methyl-10,11-dihydro-5h-5,10-epiminodibenzo[a,d][7]annulene 32 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I 3.4285 -0.3645 -0.0810 I 1 UNL1 -0.0191 2 N -2.8620 1.1344 1.7162 N.3 1 UNL1 -0.5449 3 C -1.9537 -0.0099 1.3464 C.3 1 UNL1 0.2093 4 C -3.4601 1.5153 0.3990 C.3 1 UNL1 0.0465 5 C -2.8251 -0.7676 0.3510 C.ar 1 UNL1 -0.0317 6 C -3.7289 0.1574 -0.2170 C.ar 1 UNL1 -0.0306 7 C -2.3993 2.2453 -0.4661 C.3 1 UNL1 -0.3370 8 C -0.7894 0.5400 0.5294 C.ar 1 UNL1 -0.0819 9 C -1.0395 1.6148 -0.3414 C.ar 1 UNL1 0.0168 10 C -1.5738 -0.7858 2.5936 C.3 1 UNL1 -0.4544 11 C -2.8182 -2.0878 -0.0400 C.ar 1 UNL1 -0.1470 12 C -4.6396 -0.2325 -1.1737 C.ar 1 UNL1 -0.1599 13 C 0.4810 -0.0218 0.6028 C.ar 1 UNL1 -0.1512 14 C 0.0002 2.1197 -1.1221 C.ar 1 UNL1 -0.1718 15 C -3.7414 -2.4871 -1.0193 C.ar 1 UNL1 -0.1465 16 C -4.6355 -1.5782 -1.5735 C.ar 1 UNL1 -0.1448 17 C 1.5006 0.4975 -0.1902 C.ar 1 UNL1 -0.0679 18 C 1.2770 1.5649 -1.0519 C.ar 1 UNL1 -0.1414 19 H -2.3654 1.8963 2.1636 H 1 UNL1 0.2676 20 H -4.3689 2.1283 0.5611 H 1 UNL1 0.1568 21 H -2.3471 3.3129 -0.1722 H 1 UNL1 0.1624 22 H -2.7227 2.2395 -1.5278 H 1 UNL1 0.1700 23 H -2.4749 -1.0058 3.1898 H 1 UNL1 0.1775 24 H -0.8931 -0.2163 3.2376 H 1 UNL1 0.1570 25 H -1.1019 -1.7440 2.3506 H 1 UNL1 0.1532 26 H -2.1221 -2.8040 0.3873 H 1 UNL1 0.1568 27 H -5.3413 0.4711 -1.6104 H 1 UNL1 0.1541 28 H 0.6586 -0.8619 1.2761 H 1 UNL1 0.1723 29 H -0.1841 2.9535 -1.7994 H 1 UNL1 0.1626 30 H -3.7516 -3.5254 -1.3459 H 1 UNL1 0.1505 31 H -5.3452 -1.9090 -2.3293 H 1 UNL1 0.1490 32 H 2.0706 1.9776 -1.6756 H 1 UNL1 0.1675 @BOND 1 31 16 1 2 29 14 1 3 32 18 1 4 27 12 1 5 16 12 ar 6 16 15 ar 7 22 7 1 8 30 15 1 9 12 6 ar 10 14 18 ar 11 14 9 ar 12 18 17 ar 13 15 11 ar 14 7 9 1 15 7 21 1 16 7 4 1 17 9 8 ar 18 6 5 ar 19 6 4 1 20 17 1 1 21 17 13 ar 22 11 5 ar 23 11 26 1 24 5 3 1 25 4 20 1 26 4 2 1 27 8 13 ar 28 8 3 1 29 13 28 1 30 3 2 1 31 3 10 1 32 2 19 1 33 25 10 1 34 10 23 1 35 10 24 1