@MOLECULE 15-aminoretinal 51 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.6037 -0.2739 0.1774 O.2 1 UNL1111111111 -0.5573 2 N -7.2490 0.3462 -1.9429 N.am 1 UNL1111111111 -0.7058 3 C 4.6045 -0.9944 -0.0307 C.3 1 UNL1111111111 0.1188 4 C 6.0905 -0.5681 -0.0730 C.3 1 UNL1111111111 -0.2910 5 C 6.3058 0.7579 0.6591 C.3 1 UNL1111111111 -0.2618 6 C 3.6965 0.1761 -0.3337 C.2 1 UNL1111111111 -0.1171 7 C 5.5122 1.8683 -0.0384 C.3 1 UNL1111111111 -0.2818 8 C 4.1007 1.4556 -0.3229 C.2 1 UNL1111111111 0.0272 9 C 4.2561 -1.5407 1.3660 C.3 1 UNL1111111111 -0.4598 10 C 4.3968 -2.1078 -1.0755 C.3 1 UNL1111111111 -0.4648 11 C 2.3066 -0.1799 -0.6410 C.2 1 UNL1111111111 -0.1054 12 C 3.1735 2.5928 -0.6060 C.3 1 UNL1111111111 -0.4571 13 C 1.3496 -0.2246 0.2939 C.2 1 UNL1111111111 -0.2133 14 C -0.0439 -0.5622 -0.0009 C.2 1 UNL1111111111 0.0821 15 C -0.2781 -1.7309 -0.8982 C.3 1 UNL1111111111 -0.4583 16 C -1.0352 0.1746 0.5382 C.2 1 UNL1111111111 -0.2514 17 C -2.4466 -0.0617 0.3027 C.2 1 UNL1111111111 -0.0867 18 C -3.4050 0.5127 1.0479 C.2 1 UNL1111111111 -0.2354 19 C -4.8306 0.2591 0.8328 C.2 1 UNL1111111111 0.1908 20 C -5.6116 -0.0918 2.0467 C.3 1 UNL1111111111 -0.4724 21 C -5.3716 0.3559 -0.3982 C.2 1 UNL1111111111 -0.4002 22 C -6.7970 0.1131 -0.6500 C.2 1 UNL1111111111 0.6237 23 H 6.4177 -0.4675 -1.1251 H 1 UNL1111111111 0.1414 24 H 6.7206 -1.3596 0.3684 H 1 UNL1111111111 0.1371 25 H 7.3802 1.0131 0.6876 H 1 UNL1111111111 0.1322 26 H 5.9848 0.6684 1.7142 H 1 UNL1111111111 0.1409 27 H 6.0069 2.1413 -0.9950 H 1 UNL1111111111 0.1493 28 H 5.5300 2.7870 0.5818 H 1 UNL1111111111 0.1450 29 H 3.2184 -1.8913 1.4063 H 1 UNL1111111111 0.1503 30 H 4.9018 -2.3805 1.6365 H 1 UNL1111111111 0.1443 31 H 4.3692 -0.7664 2.1321 H 1 UNL1111111111 0.1476 32 H 4.5232 -1.7238 -2.0930 H 1 UNL1111111111 0.1462 33 H 5.1147 -2.9216 -0.9313 H 1 UNL1111111111 0.1460 34 H 3.3934 -2.5406 -1.0053 H 1 UNL1111111111 0.1475 35 H 2.1110 -0.4014 -1.6919 H 1 UNL1111111111 0.1525 36 H 2.8286 3.0531 0.3319 H 1 UNL1111111111 0.1594 37 H 2.2747 2.2803 -1.1563 H 1 UNL1111111111 0.1587 38 H 3.6561 3.3786 -1.2015 H 1 UNL1111111111 0.1523 39 H 1.5660 0.0153 1.3370 H 1 UNL1111111111 0.1633 40 H -0.5783 -1.4030 -1.9046 H 1 UNL1111111111 0.1614 41 H 0.6183 -2.3567 -1.0136 H 1 UNL1111111111 0.1592 42 H -1.0726 -2.3884 -0.5162 H 1 UNL1111111111 0.1622 43 H -0.7973 1.0127 1.1971 H 1 UNL1111111111 0.1589 44 H -2.7030 -0.7445 -0.5117 H 1 UNL1111111111 0.1508 45 H -3.1716 1.1856 1.8737 H 1 UNL1111111111 0.1649 46 H -6.1162 -1.0693 1.9230 H 1 UNL1111111111 0.1915 47 H -5.0110 -0.1375 2.9614 H 1 UNL1111111111 0.1527 48 H -6.4400 0.6205 2.2122 H 1 UNL1111111111 0.1857 49 H -4.7623 0.6280 -1.2560 H 1 UNL1111111111 0.1677 50 H -8.2122 0.1990 -2.1627 H 1 UNL1111111111 0.3087 51 H -6.6620 0.6733 -2.6726 H 1 UNL1111111111 0.2990 @BOND 1 1 22 2 2 2 22 am 3 2 50 1 4 2 51 1 5 3 4 1 6 3 6 1 7 3 9 1 8 3 10 1 9 4 5 1 10 4 23 1 11 4 24 1 12 5 7 1 13 5 25 1 14 5 26 1 15 6 8 2 16 6 11 1 17 7 8 1 18 7 27 1 19 7 28 1 20 8 12 1 21 9 29 1 22 9 30 1 23 9 31 1 24 10 32 1 25 10 33 1 26 10 34 1 27 11 13 2 28 11 35 1 29 12 36 1 30 12 37 1 31 12 38 1 32 13 14 1 33 13 39 1 34 14 15 1 35 14 16 2 36 15 40 1 37 15 41 1 38 15 42 1 39 16 17 1 40 16 43 1 41 17 18 2 42 17 44 1 43 18 19 1 44 18 45 1 45 19 20 1 46 19 21 2 47 20 46 1 48 20 47 1 49 20 48 1 50 21 22 1 51 21 49 1