@MOLECULE moricizine 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.9242 1.4836 1.9416 S.3 1 UNL1111111111 0.1180 2 O 2.7772 -5.6054 1.0011 O.3 1 UNL1111111111 -0.3882 3 O -2.5598 -1.8527 -1.4467 O.2 1 UNL1111111111 -0.4900 4 O 4.5563 2.6905 -0.9406 O.3 1 UNL1111111111 -0.4437 5 O 3.5496 3.5368 0.9153 O.2 1 UNL1111111111 -0.5259 6 N 0.8905 -3.8304 -0.1386 N.3 1 UNL1111111111 -0.4187 7 N -1.9582 0.1469 -0.5915 N.am 1 UNL1111111111 -0.5038 8 N 2.4856 2.0143 -0.5015 N.am 1 UNL1111111111 -0.5499 9 C -0.4703 -3.3082 -0.4092 C.3 1 UNL1111111111 -0.0956 10 C 1.0397 -5.2157 -0.6480 C.3 1 UNL1111111111 -0.1586 11 C 1.1976 -3.7923 1.3131 C.3 1 UNL1111111111 -0.1570 12 C -0.3569 -1.7738 -0.5224 C.3 1 UNL1111111111 -0.3637 13 C 2.4870 -5.6704 -0.3828 C.3 1 UNL1111111111 -0.0469 14 C 2.6399 -4.2920 1.5115 C.3 1 UNL1111111111 -0.0475 15 C -1.6971 -1.2076 -0.8984 C.2 1 UNL1111111111 0.6007 16 C -0.9984 0.9797 0.0482 C.ar 1 UNL1111111111 0.2445 17 C -3.3096 0.6111 -0.6409 C.ar 1 UNL1111111111 0.1864 18 C -1.3155 1.6487 1.2390 C.ar 1 UNL1111111111 -0.2167 19 C -3.8753 1.2553 0.4687 C.ar 1 UNL1111111111 -0.1610 20 C 0.2582 1.1451 -0.5387 C.ar 1 UNL1111111111 -0.3173 21 C -4.0643 0.4179 -1.8033 C.ar 1 UNL1111111111 -0.1561 22 C -0.3591 2.4445 1.8635 C.ar 1 UNL1111111111 -0.0438 23 C 1.2231 1.9319 0.1159 C.ar 1 UNL1111111111 0.2739 24 C -5.1924 1.6991 0.4203 C.ar 1 UNL1111111111 -0.1181 25 C 0.9143 2.5756 1.3216 C.ar 1 UNL1111111111 -0.2541 26 C -5.3856 0.8548 -1.8372 C.ar 1 UNL1111111111 -0.1235 27 C -5.9489 1.4905 -0.7319 C.ar 1 UNL1111111111 -0.1621 28 C 3.5221 2.8271 -0.0605 C.2 1 UNL1111111111 0.7211 29 C 5.7310 3.4565 -0.6047 C.3 1 UNL1111111111 0.0265 30 C 6.7081 3.1095 -1.7137 C.3 1 UNL1111111111 -0.4646 31 H -1.2158 -3.5863 0.3652 H 1 UNL1111111111 0.1314 32 H -0.8544 -3.7181 -1.3714 H 1 UNL1111111111 0.1580 33 H 0.3284 -5.9269 -0.1772 H 1 UNL1111111111 0.1287 34 H 0.8408 -5.2147 -1.7408 H 1 UNL1111111111 0.1440 35 H 0.4984 -4.4092 1.9170 H 1 UNL1111111111 0.1284 36 H 1.1096 -2.7438 1.6687 H 1 UNL1111111111 0.1440 37 H 0.4048 -1.5246 -1.2938 H 1 UNL1111111111 0.1904 38 H 0.0300 -1.3462 0.4248 H 1 UNL1111111111 0.1788 39 H 2.6358 -6.7387 -0.6169 H 1 UNL1111111111 0.1369 40 H 3.2137 -5.0563 -0.9430 H 1 UNL1111111111 0.1282 41 H 2.8946 -4.4135 2.5785 H 1 UNL1111111111 0.1364 42 H 3.3716 -3.6252 1.0226 H 1 UNL1111111111 0.1289 43 H 0.4745 0.6848 -1.4998 H 1 UNL1111111111 0.1789 44 H -3.6249 -0.0880 -2.6647 H 1 UNL1111111111 0.1835 45 H -0.5951 2.9752 2.7909 H 1 UNL1111111111 0.1676 46 H -5.6440 2.2087 1.2732 H 1 UNL1111111111 0.1645 47 H 1.6573 3.1898 1.8367 H 1 UNL1111111111 0.2021 48 H -5.9812 0.6955 -2.7359 H 1 UNL1111111111 0.1581 49 H -6.9830 1.8283 -0.7679 H 1 UNL1111111111 0.1563 50 H 2.6292 1.4807 -1.3582 H 1 UNL1111111111 0.3330 51 H 6.0782 3.1439 0.3960 H 1 UNL1111111111 0.1369 52 H 5.4544 4.5259 -0.5860 H 1 UNL1111111111 0.1383 53 H 7.6546 3.6486 -1.5872 H 1 UNL1111111111 0.1585 54 H 6.3024 3.3677 -2.7015 H 1 UNL1111111111 0.1626 55 H 6.9317 2.0343 -1.7313 H 1 UNL1111111111 0.1613 @BOND 1 1 18 1 2 1 19 1 3 2 13 1 4 2 14 1 5 3 15 2 6 4 28 1 7 4 29 1 8 5 28 2 9 6 9 1 10 6 10 1 11 6 11 1 12 7 15 am 13 7 16 1 14 7 17 1 15 8 23 1 16 8 28 am 17 8 50 1 18 9 12 1 19 9 31 1 20 9 32 1 21 10 13 1 22 10 33 1 23 10 34 1 24 11 14 1 25 11 35 1 26 11 36 1 27 12 15 1 28 12 37 1 29 12 38 1 30 13 39 1 31 13 40 1 32 14 41 1 33 14 42 1 34 16 18 ar 35 16 20 ar 36 17 19 ar 37 17 21 ar 38 18 22 ar 39 19 24 ar 40 20 23 ar 41 20 43 1 42 21 26 ar 43 21 44 1 44 22 25 ar 45 22 45 1 46 23 25 ar 47 24 27 ar 48 24 46 1 49 25 47 1 50 26 27 ar 51 26 48 1 52 27 49 1 53 29 30 1 54 29 51 1 55 29 52 1 56 30 53 1 57 30 54 1 58 30 55 1