@MOLECULE nordihydrocapsaicin 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1450 1.2683 -1.0491 O.2 1 UNL1111111111 -0.5482 2 O 1.8040 0.9468 -2.0136 O.3 1 UNL1111111111 -0.2647 3 O 3.5860 1.1035 -0.1521 O.3 1 UNL1111111111 -0.4385 4 N -2.6019 1.0253 1.1367 N.am 1 UNL1111111111 -0.5969 5 C 0.5959 -3.2478 0.6132 C.3 1 UNL1111111111 -0.2881 6 C -0.6394 -3.0558 -0.2764 C.3 1 UNL1111111111 -0.2661 7 C 1.5666 -2.0542 0.5330 C.3 1 UNL1111111111 -0.0626 8 C -1.6083 -2.0316 0.3270 C.3 1 UNL1111111111 -0.2831 9 C -2.8198 -1.8234 -0.5887 C.3 1 UNL1111111111 -0.2525 10 C -3.7987 -0.7936 -0.0107 C.3 1 UNL1111111111 -0.3680 11 C 2.3658 -2.0820 -0.7736 C.3 1 UNL1111111111 -0.4567 12 C 2.5248 -2.0761 1.7318 C.3 1 UNL1111111111 -0.4524 13 C -3.1563 0.5752 -0.0519 C.2 1 UNL1111111111 0.5992 14 C -1.7869 2.2465 1.1345 C.3 1 UNL1111111111 -0.0715 15 C -0.3430 1.9336 0.8298 C.ar 1 UNL1111111111 -0.0443 16 C 0.0049 1.5804 -0.4808 C.ar 1 UNL1111111111 -0.2494 17 C 0.6216 1.9977 1.8246 C.ar 1 UNL1111111111 -0.1616 18 C 1.3251 1.2974 -0.7921 C.ar 1 UNL1111111111 0.1565 19 C 1.9612 1.7248 1.5228 C.ar 1 UNL1111111111 -0.2544 20 C 2.3102 1.3825 0.2256 C.ar 1 UNL1111111111 0.1922 21 C 0.8283 0.7085 -3.0224 C.3 1 UNL1111111111 -0.2165 22 H 0.2794 -3.4052 1.6607 H 1 UNL1111111111 0.1340 23 H 1.1257 -4.1738 0.3213 H 1 UNL1111111111 0.1376 24 H -1.1534 -4.0257 -0.4117 H 1 UNL1111111111 0.1321 25 H -0.3293 -2.7343 -1.2890 H 1 UNL1111111111 0.1409 26 H 0.9783 -1.1039 0.5705 H 1 UNL1111111111 0.1330 27 H -1.0764 -1.0709 0.4806 H 1 UNL1111111111 0.1470 28 H -1.9348 -2.3649 1.3284 H 1 UNL1111111111 0.1335 29 H -3.3451 -2.7849 -0.7458 H 1 UNL1111111111 0.1426 30 H -2.4847 -1.4959 -1.5942 H 1 UNL1111111111 0.1531 31 H -4.1213 -1.0795 1.0061 H 1 UNL1111111111 0.1560 32 H -4.7252 -0.7661 -0.6236 H 1 UNL1111111111 0.1739 33 H 1.7079 -2.1163 -1.6475 H 1 UNL1111111111 0.1399 34 H 2.9811 -1.1758 -0.8763 H 1 UNL1111111111 0.1636 35 H 3.0351 -2.9450 -0.8223 H 1 UNL1111111111 0.1390 36 H 3.2262 -1.2360 1.6817 H 1 UNL1111111111 0.1414 37 H 1.9820 -1.9980 2.6786 H 1 UNL1111111111 0.1368 38 H 3.1141 -2.9981 1.7559 H 1 UNL1111111111 0.1427 39 H -2.4582 0.3964 1.9096 H 1 UNL1111111111 0.3058 40 H -2.1940 2.9595 0.3715 H 1 UNL1111111111 0.1783 41 H -1.9003 2.7483 2.1223 H 1 UNL1111111111 0.1430 42 H -0.7781 1.5395 -1.2426 H 1 UNL1111111111 0.1933 43 H 0.3509 2.2652 2.8431 H 1 UNL1111111111 0.1530 44 H 2.7150 1.7818 2.3020 H 1 UNL1111111111 0.1592 45 H 4.2191 1.2307 0.5969 H 1 UNL1111111111 0.3171 46 H 1.4524 0.3948 -3.8700 H 1 UNL1111111111 0.1549 47 H 0.2823 1.6259 -3.2654 H 1 UNL1111111111 0.1403 48 H 0.1432 -0.0935 -2.7304 H 1 UNL1111111111 0.1356 @BOND 1 1 13 2 2 2 18 1 3 2 21 1 4 3 20 1 5 3 45 1 6 4 13 am 7 4 14 1 8 4 39 1 9 5 6 1 10 5 7 1 11 5 22 1 12 5 23 1 13 6 8 1 14 6 24 1 15 6 25 1 16 7 11 1 17 7 12 1 18 7 26 1 19 8 9 1 20 8 27 1 21 8 28 1 22 9 10 1 23 9 29 1 24 9 30 1 25 10 13 1 26 10 31 1 27 10 32 1 28 11 33 1 29 11 34 1 30 11 35 1 31 12 36 1 32 12 37 1 33 12 38 1 34 14 15 1 35 14 40 1 36 14 41 1 37 15 16 ar 38 15 17 ar 39 16 18 ar 40 16 42 1 41 17 19 ar 42 17 43 1 43 18 20 ar 44 19 20 ar 45 19 44 1 46 21 46 1 47 21 47 1 48 21 48 1