@MOLECULE stemoninine 59 63 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.4796 -1.0539 1.0433 O.3 1 UNL1111111111 -0.4117 2 O 3.8268 -0.4025 -0.6905 O.3 1 UNL1111111111 -0.4374 3 O -4.9425 -0.7793 0.7264 O.3 1 UNL1111111111 -0.4228 4 O 5.9946 -0.5337 -1.2343 O.2 1 UNL1111111111 -0.4222 5 O -6.6292 0.4935 1.4023 O.2 1 UNL1111111111 -0.4478 6 N -1.6018 -0.6971 -0.7749 N.3 1 UNL1111111111 -0.4921 7 C 0.8543 -0.1313 -0.4518 C.3 1 UNL1111111111 -0.2225 8 C -0.6010 0.3495 -0.4318 C.3 1 UNL1111111111 0.0716 9 C 1.8990 0.9498 -0.0974 C.3 1 UNL1111111111 -0.1727 10 C 1.1374 -1.2478 0.5741 C.3 1 UNL1111111111 0.1189 11 C -2.6017 -0.7965 0.3133 C.3 1 UNL1111111111 0.0254 12 C -1.0204 0.9701 0.9246 C.3 1 UNL1111111111 -0.3085 13 C 3.0476 0.0726 0.4386 C.3 1 UNL1111111111 0.4168 14 C -2.4315 0.4471 1.2083 C.3 1 UNL1111111111 -0.2842 15 C 1.0280 -2.6403 -0.0328 C.3 1 UNL1111111111 -0.3094 16 C -1.1193 -1.9923 -1.2762 C.3 1 UNL1111111111 -0.0882 17 C -4.0005 -0.8583 -0.3513 C.3 1 UNL1111111111 0.1057 18 C -0.4447 -2.9665 -0.2859 C.3 1 UNL1111111111 -0.3114 19 C 2.2813 1.8186 -1.2940 C.3 1 UNL1111111111 -0.2521 20 C 4.0644 0.6598 1.3946 C.2 1 UNL1111111111 -0.2055 21 C -4.3137 0.2884 -1.3300 C.3 1 UNL1111111111 -0.3242 22 C -5.5552 0.9833 -0.7550 C.3 1 UNL1111111111 -0.1900 23 C 3.0798 3.0460 -0.8580 C.3 1 UNL1111111111 -0.4374 24 C 5.2937 0.4891 0.8907 C.2 1 UNL1111111111 -0.0662 25 C 5.1672 -0.2008 -0.4392 C.2 1 UNL1111111111 0.5789 26 C -5.8083 0.2702 0.5603 C.2 1 UNL1111111111 0.5868 27 C -5.3622 2.4743 -0.5167 C.3 1 UNL1111111111 -0.4357 28 C 6.6119 0.8528 1.4215 C.3 1 UNL1111111111 -0.4328 29 H 1.0855 -0.5078 -1.4815 H 1 UNL1111111111 0.1720 30 H -0.7192 1.1245 -1.2401 H 1 UNL1111111111 0.1400 31 H 1.5284 1.5981 0.7299 H 1 UNL1111111111 0.1580 32 H 0.5214 -1.1553 1.4955 H 1 UNL1111111111 0.1385 33 H -2.4731 -1.7195 0.9340 H 1 UNL1111111111 0.1356 34 H -0.9982 2.0699 0.8764 H 1 UNL1111111111 0.1428 35 H -0.3282 0.6857 1.7355 H 1 UNL1111111111 0.1480 36 H -2.5768 0.1928 2.2713 H 1 UNL1111111111 0.1526 37 H -3.1931 1.2127 0.9801 H 1 UNL1111111111 0.1494 38 H 1.4821 -3.3830 0.6539 H 1 UNL1111111111 0.1602 39 H 1.6255 -2.7123 -0.9627 H 1 UNL1111111111 0.1613 40 H -0.4347 -1.7904 -2.1312 H 1 UNL1111111111 0.1463 41 H -2.0106 -2.4981 -1.7206 H 1 UNL1111111111 0.1363 42 H -4.1776 -1.8556 -0.8057 H 1 UNL1111111111 0.1373 43 H -0.5255 -3.9957 -0.6884 H 1 UNL1111111111 0.1479 44 H -0.9988 -2.9832 0.6724 H 1 UNL1111111111 0.1461 45 H 1.3654 2.1410 -1.8285 H 1 UNL1111111111 0.1409 46 H 2.8640 1.2277 -2.0322 H 1 UNL1111111111 0.1653 47 H -4.4841 -0.0927 -2.3492 H 1 UNL1111111111 0.1535 48 H -3.4508 0.9752 -1.4238 H 1 UNL1111111111 0.1791 49 H 3.7538 1.0960 2.3236 H 1 UNL1111111111 0.1784 50 H -6.4378 0.8243 -1.4217 H 1 UNL1111111111 0.1695 51 H 2.4945 3.7000 -0.2030 H 1 UNL1111111111 0.1406 52 H 3.9908 2.7626 -0.3176 H 1 UNL1111111111 0.1459 53 H 3.3910 3.6402 -1.7248 H 1 UNL1111111111 0.1458 54 H -5.2281 3.0140 -1.4618 H 1 UNL1111111111 0.1520 55 H -6.2347 2.9096 -0.0067 H 1 UNL1111111111 0.1645 56 H -4.4860 2.6859 0.1087 H 1 UNL1111111111 0.1508 57 H 7.2226 1.3850 0.6709 H 1 UNL1111111111 0.1741 58 H 7.1899 -0.0472 1.7022 H 1 UNL1111111111 0.1778 59 H 6.5521 1.4918 2.3142 H 1 UNL1111111111 0.1604 @BOND 1 1 10 1 2 1 13 1 3 2 13 1 4 2 25 1 5 3 17 1 6 3 26 1 7 4 25 2 8 5 26 2 9 6 8 1 10 6 11 1 11 6 16 1 12 7 8 1 13 7 9 1 14 7 10 1 15 7 29 1 16 8 12 1 17 8 30 1 18 9 13 1 19 9 19 1 20 9 31 1 21 10 15 1 22 10 32 1 23 11 14 1 24 11 17 1 25 11 33 1 26 12 14 1 27 12 34 1 28 12 35 1 29 13 20 1 30 14 36 1 31 14 37 1 32 15 18 1 33 15 38 1 34 15 39 1 35 16 18 1 36 16 40 1 37 16 41 1 38 17 21 1 39 17 42 1 40 18 43 1 41 18 44 1 42 19 23 1 43 19 45 1 44 19 46 1 45 20 24 2 46 20 49 1 47 21 22 1 48 21 47 1 49 21 48 1 50 22 26 1 51 22 27 1 52 22 50 1 53 23 51 1 54 23 52 1 55 23 53 1 56 24 25 1 57 24 28 1 58 27 54 1 59 27 55 1 60 27 56 1 61 28 57 1 62 28 58 1 63 28 59 1