@MOLECULE cnicine 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1550 2.5153 -0.1437 O.3 1 UNL1111111111 -0.3910 2 O 1.5174 -0.0854 0.8010 O.3 1 UNL1111111111 -0.4396 3 O -0.9072 4.3633 -0.1795 O.2 1 UNL1111111111 -0.4240 4 O -5.6819 -0.0383 -1.8488 O.3 1 UNL1111111111 -0.5323 5 O 2.3759 -1.5434 -0.6745 O.2 1 UNL1111111111 -0.5308 6 O 5.0517 -1.9065 -0.5709 O.3 1 UNL1111111111 -0.5561 7 O 6.2954 0.3037 -1.8446 O.3 1 UNL1111111111 -0.5305 8 C -0.5907 0.9231 0.7525 C.3 1 UNL1111111111 -0.2021 9 C 0.1891 -0.3180 0.2908 C.3 1 UNL1111111111 0.1618 10 C -1.9176 1.1033 -0.0610 C.3 1 UNL1111111111 0.1139 11 C -0.2847 -1.6361 0.9293 C.3 1 UNL1111111111 -0.3480 12 C 0.0756 2.2513 0.5474 C.2 1 UNL1111111111 -0.1359 13 C -3.0755 0.4339 0.5792 C.2 1 UNL1111111111 -0.2515 14 C -1.5803 -2.1256 0.3516 C.2 1 UNL1111111111 0.0268 15 C -0.9686 3.1910 0.0492 C.2 1 UNL1111111111 0.5721 16 C -4.0495 -0.1910 -0.0984 C.2 1 UNL1111111111 0.0150 17 C -4.8763 -1.2301 0.5940 C.3 1 UNL1111111111 -0.2790 18 C -4.0467 -2.5448 0.6367 C.3 1 UNL1111111111 -0.2550 19 C -2.6649 -2.2558 1.1298 C.2 1 UNL1111111111 -0.1992 20 C 1.3194 2.6483 0.7969 C.2 1 UNL1111111111 -0.2081 21 C -1.5478 -2.4397 -1.1060 C.3 1 UNL1111111111 -0.4537 22 C -4.2951 -0.0278 -1.5699 C.3 1 UNL1111111111 -0.0271 23 C 2.5377 -0.7627 0.2361 C.2 1 UNL1111111111 0.6173 24 C 3.8263 -0.3976 0.8608 C.2 1 UNL1111111111 -0.1767 25 C 5.0314 -0.6158 -0.0160 C.3 1 UNL1111111111 0.1096 26 C 5.0651 0.4130 -1.1673 C.3 1 UNL1111111111 -0.0546 27 C 3.9042 0.0608 2.1107 C.2 1 UNL1111111111 -0.1946 28 H -0.8235 0.8115 1.8454 H 1 UNL1111111111 0.1779 29 H 0.2433 -0.3887 -0.8186 H 1 UNL1111111111 0.1531 30 H -1.7709 0.7982 -1.1254 H 1 UNL1111111111 0.1385 31 H 0.4981 -2.4124 0.7762 H 1 UNL1111111111 0.1759 32 H -0.3455 -1.5175 2.0294 H 1 UNL1111111111 0.1569 33 H -3.0339 0.3831 1.6677 H 1 UNL1111111111 0.1644 34 H -5.8347 -1.4155 0.0673 H 1 UNL1111111111 0.1650 35 H -5.1482 -0.9207 1.6203 H 1 UNL1111111111 0.1485 36 H -4.5545 -3.2772 1.2936 H 1 UNL1111111111 0.1431 37 H -4.0392 -3.0046 -0.3708 H 1 UNL1111111111 0.1478 38 H -2.6107 -2.0747 2.2027 H 1 UNL1111111111 0.1447 39 H 1.6524 3.6662 0.6142 H 1 UNL1111111111 0.1646 40 H 2.0966 2.0121 1.1977 H 1 UNL1111111111 0.1618 41 H -0.5322 -2.6765 -1.4589 H 1 UNL1111111111 0.1652 42 H -2.1721 -3.3108 -1.3534 H 1 UNL1111111111 0.1589 43 H -1.9126 -1.5970 -1.7089 H 1 UNL1111111111 0.1530 44 H -3.8604 0.9038 -1.9820 H 1 UNL1111111111 0.1378 45 H -3.9225 -0.8983 -2.1495 H 1 UNL1111111111 0.1520 46 H 5.9880 -0.5893 0.5627 H 1 UNL1111111111 0.1673 47 H -6.1204 0.7220 -1.4128 H 1 UNL1111111111 0.3157 48 H 4.2423 0.2525 -1.8870 H 1 UNL1111111111 0.1317 49 H 5.0522 1.4561 -0.8059 H 1 UNL1111111111 0.1469 50 H 4.8399 0.3121 2.5975 H 1 UNL1111111111 0.1605 51 H 3.0409 0.2182 2.7482 H 1 UNL1111111111 0.1648 52 H 4.1668 -2.1449 -0.9409 H 1 UNL1111111111 0.3479 53 H 6.4662 -0.6418 -2.0640 H 1 UNL1111111111 0.3290 @BOND 1 1 10 1 2 1 15 1 3 2 9 1 4 2 23 1 5 3 15 2 6 4 22 1 7 4 47 1 8 5 23 2 9 6 25 1 10 6 52 1 11 7 26 1 12 7 53 1 13 8 9 1 14 8 10 1 15 8 12 1 16 8 28 1 17 9 11 1 18 9 29 1 19 10 13 1 20 10 30 1 21 11 14 1 22 11 31 1 23 11 32 1 24 12 15 1 25 12 20 2 26 13 16 2 27 13 33 1 28 14 19 2 29 14 21 1 30 16 17 1 31 16 22 1 32 17 18 1 33 17 34 1 34 17 35 1 35 18 19 1 36 18 36 1 37 18 37 1 38 19 38 1 39 20 39 1 40 20 40 1 41 21 41 1 42 21 42 1 43 21 43 1 44 22 44 1 45 22 45 1 46 23 24 1 47 24 25 1 48 24 27 2 49 25 26 1 50 25 46 1 51 26 48 1 52 26 49 1 53 27 50 1 54 27 51 1