@MOLECULE cyclomethycaine 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7021 -0.9222 -0.3311 O.3 1 UNL1111111111 -0.3727 2 O 1.1901 0.9414 0.0131 O.3 1 UNL1111111111 -0.4288 3 O 0.3041 2.9878 0.2554 O.2 1 UNL1111111111 -0.5267 4 N 5.7895 -0.3406 -0.1619 N.3 1 UNL1111111111 -0.4497 5 C 7.0714 0.0442 -0.7945 C.3 1 UNL1111111111 0.0840 6 C 7.8906 -1.2343 -1.0901 C.3 1 UNL1111111111 -0.2888 7 C 5.9753 -1.1053 1.0934 C.3 1 UNL1111111111 -0.1004 8 C 8.1016 -2.0834 0.1676 C.3 1 UNL1111111111 -0.2596 9 C 6.7416 -2.4062 0.7937 C.3 1 UNL1111111111 -0.2764 10 C 4.8982 0.8261 0.0483 C.3 1 UNL1111111111 -0.1082 11 C -6.0011 -0.3613 -0.0868 C.3 1 UNL1111111111 0.1287 12 C -6.5256 -1.0569 1.1739 C.3 1 UNL1111111111 -0.3115 13 C -6.8140 -0.7360 -1.3326 C.3 1 UNL1111111111 -0.3051 14 C 7.9149 1.0532 0.0100 C.3 1 UNL1111111111 -0.5017 15 C -7.9942 -0.6770 1.3866 C.3 1 UNL1111111111 -0.2586 16 C -8.2824 -0.3615 -1.1063 C.3 1 UNL1111111111 -0.2592 17 C -8.8312 -1.0450 0.1539 C.3 1 UNL1111111111 -0.2674 18 C 3.4388 0.3432 -0.0426 C.3 1 UNL1111111111 -0.3060 19 C 2.4941 1.5324 0.1035 C.3 1 UNL1111111111 -0.0127 20 C -3.5923 -0.1747 -0.1751 C.ar 1 UNL1111111111 0.3250 21 C -3.5431 1.1622 0.2323 C.ar 1 UNL1111111111 -0.3443 22 C -2.4197 -0.8943 -0.4820 C.ar 1 UNL1111111111 -0.2894 23 C -1.1355 1.0881 0.0074 C.ar 1 UNL1111111111 -0.2391 24 C 0.1417 1.8004 0.1051 C.2 1 UNL1111111111 0.6191 25 C -2.3045 1.7891 0.3144 C.ar 1 UNL1111111111 0.0091 26 C -1.1966 -0.2564 -0.3865 C.ar 1 UNL1111111111 -0.0034 27 H 6.8018 0.5147 -1.7800 H 1 UNL1111111111 0.1307 28 H 8.8596 -0.9589 -1.5403 H 1 UNL1111111111 0.1329 29 H 7.3492 -1.8322 -1.8500 H 1 UNL1111111111 0.1490 30 H 4.9698 -1.3536 1.4994 H 1 UNL1111111111 0.1343 31 H 6.5065 -0.5215 1.8750 H 1 UNL1111111111 0.1115 32 H 8.6390 -3.0150 -0.0870 H 1 UNL1111111111 0.1321 33 H 8.7429 -1.5493 0.8919 H 1 UNL1111111111 0.1336 34 H 6.8624 -2.9950 1.7195 H 1 UNL1111111111 0.1305 35 H 6.1463 -3.0308 0.0990 H 1 UNL1111111111 0.1511 36 H 5.0831 1.5810 -0.7476 H 1 UNL1111111111 0.1369 37 H 5.0788 1.3354 1.0185 H 1 UNL1111111111 0.1172 38 H -5.9586 0.7380 0.0413 H 1 UNL1111111111 0.1274 39 H -6.4183 -2.1550 1.0716 H 1 UNL1111111111 0.1582 40 H -5.9128 -0.7794 2.0498 H 1 UNL1111111111 0.1465 41 H -6.4077 -0.2222 -2.2236 H 1 UNL1111111111 0.1477 42 H -6.7130 -1.8187 -1.5402 H 1 UNL1111111111 0.1577 43 H 7.3704 1.9859 0.1824 H 1 UNL1111111111 0.1456 44 H 8.8371 1.3026 -0.5236 H 1 UNL1111111111 0.1491 45 H 8.2011 0.6495 0.9861 H 1 UNL1111111111 0.1512 46 H -8.3910 -1.1911 2.2819 H 1 UNL1111111111 0.1369 47 H -8.0821 0.4058 1.5963 H 1 UNL1111111111 0.1370 48 H -8.3872 0.7363 -1.0180 H 1 UNL1111111111 0.1373 49 H -8.8848 -0.6527 -1.9873 H 1 UNL1111111111 0.1369 50 H -9.8862 -0.7561 0.3126 H 1 UNL1111111111 0.1329 51 H -8.8329 -2.1433 0.0152 H 1 UNL1111111111 0.1404 52 H 3.2229 -0.4189 0.7295 H 1 UNL1111111111 0.1559 53 H 3.2728 -0.1754 -1.0086 H 1 UNL1111111111 0.1689 54 H 2.5832 2.0392 1.0804 H 1 UNL1111111111 0.1339 55 H 2.6032 2.2748 -0.7061 H 1 UNL1111111111 0.1354 56 H -4.4441 1.7124 0.4811 H 1 UNL1111111111 0.1675 57 H -2.4979 -1.9347 -0.7897 H 1 UNL1111111111 0.1778 58 H -2.2389 2.8386 0.6201 H 1 UNL1111111111 0.1694 59 H -0.2751 -0.7969 -0.6201 H 1 UNL1111111111 0.1702 @BOND 1 1 11 1 2 1 20 1 3 2 19 1 4 2 24 1 5 3 24 2 6 4 5 1 7 4 7 1 8 4 10 1 9 5 6 1 10 5 14 1 11 5 27 1 12 6 8 1 13 6 28 1 14 6 29 1 15 7 9 1 16 7 30 1 17 7 31 1 18 8 9 1 19 8 32 1 20 8 33 1 21 9 34 1 22 9 35 1 23 10 18 1 24 10 36 1 25 10 37 1 26 11 12 1 27 11 13 1 28 11 38 1 29 12 15 1 30 12 39 1 31 12 40 1 32 13 16 1 33 13 41 1 34 13 42 1 35 14 43 1 36 14 44 1 37 14 45 1 38 15 17 1 39 15 46 1 40 15 47 1 41 16 17 1 42 16 48 1 43 16 49 1 44 17 50 1 45 17 51 1 46 18 19 1 47 18 52 1 48 18 53 1 49 19 54 1 50 19 55 1 51 20 21 ar 52 20 22 ar 53 21 25 ar 54 21 56 1 55 22 26 ar 56 22 57 1 57 23 24 1 58 23 25 ar 59 23 26 ar 60 25 58 1 61 26 59 1