@MOLECULE nitidine 44 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.5285 -1.2785 -0.5738 O.3 1 UNL1111 -0.3372 2 O 6.1160 0.9875 -0.2881 O.3 1 UNL1111 -0.3381 3 O -4.9644 1.6962 -0.2858 O.3 1 UNL1111 -0.3365 4 O -5.5887 -1.1172 -0.2551 O.3 1 UNL1111 -0.3389 5 N 0.3967 -1.7310 0.4278 N.ar 1 UNL1111 -0.2763 6 C 0.7451 -0.3706 0.2773 C.ar 1 UNL1111 0.1506 7 C -0.2571 0.6118 0.2306 C.ar 1 UNL1111 -0.0485 8 C 2.1205 -0.0040 0.1003 C.ar 1 UNL1111 -0.0544 9 C -1.6493 0.2305 0.1376 C.ar 1 UNL1111 -0.0455 10 C 2.4687 1.3682 0.1713 C.ar 1 UNL1111 0.0205 11 C -1.9570 -1.1602 0.1118 C.ar 1 UNL1111 0.0091 12 C -0.9327 -2.1019 0.3037 C.ar 1 UNL1111 -0.1189 13 C 0.1269 1.9771 0.2632 C.ar 1 UNL1111 -0.1176 14 C 3.1251 -0.9798 -0.2043 C.ar 1 UNL1111 -0.2012 15 C 1.4459 2.3449 0.2874 C.ar 1 UNL1111 -0.1750 16 C 3.8317 1.8011 0.0824 C.ar 1 UNL1111 -0.2169 17 C 4.4055 -0.5388 -0.3028 C.ar 1 UNL1111 0.1304 18 C -2.6909 1.1638 0.0429 C.ar 1 UNL1111 -0.1743 19 C 4.7618 0.8383 -0.1419 C.ar 1 UNL1111 0.1493 20 C -3.2962 -1.5869 -0.0708 C.ar 1 UNL1111 -0.2254 21 C 1.1750 -2.5525 1.3761 C.3 1 UNL1111 -0.2552 22 C -4.0039 0.7332 -0.1098 C.ar 1 UNL1111 0.1022 23 C -4.3045 -0.6462 -0.1843 C.ar 1 UNL1111 0.1606 24 C 6.6232 -0.3366 -0.5661 C.3 1 UNL1111 0.1578 25 C -5.8568 1.7913 0.8234 C.3 1 UNL1111 -0.2006 26 C -6.2659 -0.7467 -1.4543 C.3 1 UNL1111 -0.1977 27 H -1.1440 -3.1660 0.3534 H 1 UNL1111 0.1668 28 H -0.6501 2.7423 0.2841 H 1 UNL1111 0.1595 29 H 2.8582 -2.0151 -0.3986 H 1 UNL1111 0.1865 30 H 1.7282 3.3936 0.3651 H 1 UNL1111 0.1602 31 H 4.0820 2.8522 0.1791 H 1 UNL1111 0.1790 32 H -2.4952 2.2346 0.0813 H 1 UNL1111 0.1709 33 H -3.5316 -2.6471 -0.1195 H 1 UNL1111 0.1726 34 H 1.5947 -3.4250 0.8445 H 1 UNL1111 0.1539 35 H 2.0030 -1.9842 1.8326 H 1 UNL1111 0.1601 36 H 0.5437 -2.9202 2.2043 H 1 UNL1111 0.1489 37 H 7.0610 -0.3226 -1.5737 H 1 UNL1111 0.1427 38 H 7.2990 -0.6151 0.2546 H 1 UNL1111 0.1405 39 H -6.3811 0.8434 0.9894 H 1 UNL1111 0.1427 40 H -6.5535 2.5752 0.5060 H 1 UNL1111 0.1420 41 H -5.3106 2.0946 1.7217 H 1 UNL1111 0.1304 42 H -7.2486 -1.2156 -1.3259 H 1 UNL1111 0.1424 43 H -5.7474 -1.1621 -2.3240 H 1 UNL1111 0.1320 44 H -6.3595 0.3413 -1.5402 H 1 UNL1111 0.1465 @BOND 1 1 17 1 2 1 24 1 3 2 19 1 4 2 24 1 5 3 22 1 6 3 25 1 7 4 23 1 8 4 26 1 9 5 6 ar 10 5 12 ar 11 5 21 1 12 6 7 ar 13 6 8 ar 14 7 9 ar 15 7 13 ar 16 8 10 ar 17 8 14 ar 18 9 11 ar 19 9 18 ar 20 10 15 ar 21 10 16 ar 22 11 12 ar 23 11 20 ar 24 12 27 1 25 13 15 ar 26 13 28 1 27 14 17 ar 28 14 29 1 29 15 30 1 30 16 19 ar 31 16 31 1 32 17 19 ar 33 18 22 ar 34 18 32 1 35 20 23 ar 36 20 33 1 37 21 34 1 38 21 35 1 39 21 36 1 40 22 23 ar 41 24 37 1 42 24 38 1 43 25 39 1 44 25 40 1 45 25 41 1 46 26 42 1 47 26 43 1 48 26 44 1