@MOLECULE cyclazosin 59 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.9089 1.5000 1.1256 C.3 1 UNL1 0.0939 2 C 1.6085 1.5980 0.2526 C.3 1 UNL1 0.0510 3 C 5.9606 -2.3944 0.0085 C.ar 1 UNL1 -0.1513 4 C 5.5768 -3.5614 -0.7456 C.ar 1 UNL1 -0.2438 5 C 4.3235 -3.3099 -1.2344 C.ar 1 UNL1 0.0001 6 C -4.7688 0.9725 -0.1474 C.ar 1 UNL1 -0.1859 7 C -3.5526 -1.5639 0.1816 C.ar 1 UNL1 -0.3433 8 C -5.2651 -3.7826 0.2424 C.3 1 UNL1 -0.2153 9 C -7.5697 0.9964 -0.4285 C.3 1 UNL1 -0.2138 10 H -2.2371 4.0494 -0.1935 H 1 UNL1 0.3218 11 H -3.8630 3.5116 -0.2814 H 1 UNL1 0.3077 12 C 4.9058 -1.5265 -0.0668 C.ar 1 UNL1 -0.0345 13 C -0.6368 0.5931 0.2984 C.ar 1 UNL1 0.5618 14 C -2.4649 2.0087 -0.0199 C.ar 1 UNL1 0.4872 15 C -5.5318 -0.1622 -0.1252 C.ar 1 UNL1 0.1052 16 C -4.9102 -1.4561 0.0449 C.ar 1 UNL1 0.2449 17 O 5.6031 0.6603 0.3023 O.2 1 UNL1 -0.5045 18 C 1.3167 -0.8680 0.4757 C.3 1 UNL1 -0.1028 19 C 2.5487 -0.8960 1.4043 C.3 1 UNL1 -0.0895 20 C 3.8318 2.6772 0.7676 C.3 1 UNL1 -0.2915 21 C 4.0599 2.8823 -0.7349 C.3 1 UNL1 -0.2631 22 C 2.7435 2.9377 -1.5143 C.3 1 UNL1 -0.2603 23 C 1.9303 1.6687 -1.2497 C.3 1 UNL1 -0.3061 24 C 4.6964 -0.1427 0.4084 C.2 1 UNL1 0.5871 25 O -5.7987 -2.4761 0.0498 O.3 1 UNL1 -0.2644 26 O -6.8868 -0.2367 -0.2492 O.3 1 UNL1 -0.2689 27 N -2.8971 3.2962 -0.2049 N.pl3 1 UNL1 -0.5959 28 N -1.3977 -0.5324 0.2937 N.ar 1 UNL1 -0.5923 29 N -1.1298 1.8721 0.1268 N.ar 1 UNL1 -0.6358 30 N 0.7121 0.4715 0.5790 N.pl3 1 UNL1 -0.4101 31 N 3.5096 0.1552 1.0405 N.am 1 UNL1 -0.4985 32 C -3.3608 0.8844 -0.0048 C.ar 1 UNL1 -0.3111 33 C -2.7466 -0.3853 0.1595 C.ar 1 UNL1 0.3238 34 O 3.8828 -2.0678 -0.8321 O.2 1 UNL1 -0.1687 35 H 2.6003 1.6204 2.2061 H 1 UNL1 0.1445 36 H 1.0836 2.5503 0.5558 H 1 UNL1 0.1774 37 H 1.5995 -1.1038 -0.5732 H 1 UNL1 0.1452 38 H 0.5806 -1.6472 0.7955 H 1 UNL1 0.1884 39 H 2.2274 -0.7159 2.4606 H 1 UNL1 0.1607 40 H 3.0171 -1.9023 1.3921 H 1 UNL1 0.1528 41 H 3.3934 3.5995 1.1988 H 1 UNL1 0.1379 42 H 4.8136 2.5447 1.2711 H 1 UNL1 0.1726 43 H 4.6390 3.8111 -0.8944 H 1 UNL1 0.1327 44 H 4.6996 2.0719 -1.1388 H 1 UNL1 0.1606 45 H 2.1606 3.8334 -1.2285 H 1 UNL1 0.1371 46 H 2.9463 3.0411 -2.5963 H 1 UNL1 0.1359 47 H 2.4900 0.7745 -1.5772 H 1 UNL1 0.1465 48 H 0.9908 1.6807 -1.8345 H 1 UNL1 0.1518 49 H 6.8965 -2.2539 0.5123 H 1 UNL1 0.1785 50 H 6.1816 -4.4327 -0.8796 H 1 UNL1 0.1700 51 H 3.6199 -3.8283 -1.8440 H 1 UNL1 0.1740 52 H -5.2269 1.9483 -0.2739 H 1 UNL1 0.1540 53 H -3.0424 -2.5157 0.3104 H 1 UNL1 0.1937 54 H -4.5895 -4.0538 -0.5752 H 1 UNL1 0.1403 55 H -4.7696 -3.8638 1.2152 H 1 UNL1 0.1405 56 H -6.1713 -4.4029 0.2171 H 1 UNL1 0.1535 57 H -8.6160 0.6674 -0.4959 H 1 UNL1 0.1518 58 H -7.4343 1.6528 0.4363 H 1 UNL1 0.1328 59 H -7.2643 1.4837 -1.3595 H 1 UNL1 0.1334 @BOND 1 46 22 1 2 51 5 1 3 48 23 1 4 47 23 1 5 22 23 1 6 22 45 1 7 22 21 1 8 59 9 1 9 23 2 1 10 5 34 ar 11 5 4 ar 12 44 21 1 13 43 21 1 14 50 4 1 15 34 12 ar 16 4 3 ar 17 21 20 1 18 54 8 1 19 37 18 1 20 57 9 1 21 9 26 1 22 9 58 1 23 11 27 1 24 52 6 1 25 26 15 1 26 27 10 1 27 27 14 1 28 6 15 ar 29 6 32 ar 30 15 16 ar 31 12 3 ar 32 12 24 1 33 14 32 ar 34 14 29 ar 35 32 33 ar 36 3 49 1 37 16 25 1 38 16 7 ar 39 25 8 1 40 29 13 ar 41 33 7 ar 42 33 28 ar 43 7 53 1 44 56 8 1 45 8 55 1 46 2 36 1 47 2 30 1 48 2 1 1 49 28 13 ar 50 13 30 1 51 17 24 2 52 24 31 am 53 18 30 1 54 18 38 1 55 18 19 1 56 20 1 1 57 20 41 1 58 20 42 1 59 31 1 1 60 31 19 1 61 1 35 1 62 40 19 1 63 19 39 1