@MOLECULE capsaicin 49 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3620 -0.6953 -1.5660 O.2 1 UNL1111111111 -0.5476 2 O 1.2270 1.4324 -1.5970 O.3 1 UNL1111111111 -0.2714 3 O 2.1247 2.6634 0.4940 O.3 1 UNL1111111111 -0.4386 4 N -3.5327 -0.0617 0.6018 N.am 1 UNL1111111111 -0.5918 5 C -0.7755 -2.3369 0.0787 C.3 1 UNL1111111111 -0.2693 6 C -2.0328 -2.7110 0.8744 C.3 1 UNL1111111111 -0.2572 7 C 0.4816 -2.4967 0.9445 C.3 1 UNL1111111111 -0.2758 8 C -3.3070 -2.4560 0.0627 C.3 1 UNL1111111111 -0.3722 9 C 3.9416 -1.1331 -0.1780 C.3 1 UNL1111111111 -0.0686 10 C 1.7082 -2.1893 0.1471 C.2 1 UNL1111111111 -0.1869 11 C -3.3838 -1.0153 -0.3949 C.2 1 UNL1111111111 0.5977 12 C 2.6950 -1.4172 0.6086 C.2 1 UNL1111111111 -0.1542 13 C -3.3562 1.3566 0.2607 C.3 1 UNL1111111111 -0.0736 14 C -1.8992 1.7352 0.3485 C.ar 1 UNL1111111111 -0.0464 15 C 5.1268 -1.8512 0.4852 C.3 1 UNL1111111111 -0.4482 16 C 4.1858 0.3793 -0.2281 C.3 1 UNL1111111111 -0.4557 17 C -1.0482 1.3747 -0.7050 C.ar 1 UNL1111111111 -0.2444 18 C -1.4073 2.4006 1.4622 C.ar 1 UNL1111111111 -0.1611 19 C 0.2996 1.6899 -0.6387 C.ar 1 UNL1111111111 0.1593 20 C -0.0488 2.7275 1.5405 C.ar 1 UNL1111111111 -0.2552 21 C 0.7959 2.3777 0.4979 C.ar 1 UNL1111111111 0.1942 22 C 0.8517 0.4816 -2.5884 C.3 1 UNL1111111111 -0.2148 23 H -0.7016 -2.9612 -0.8310 H 1 UNL1111111111 0.1447 24 H -0.8426 -1.2895 -0.2811 H 1 UNL1111111111 0.1515 25 H -2.0587 -2.1486 1.8264 H 1 UNL1111111111 0.1336 26 H -1.9884 -3.7799 1.1632 H 1 UNL1111111111 0.1443 27 H 0.4083 -1.8438 1.8372 H 1 UNL1111111111 0.1418 28 H 0.5484 -3.5332 1.3367 H 1 UNL1111111111 0.1460 29 H -4.2076 -2.7269 0.6457 H 1 UNL1111111111 0.1617 30 H -3.3253 -3.1109 -0.8360 H 1 UNL1111111111 0.1799 31 H 3.8362 -1.5107 -1.2251 H 1 UNL1111111111 0.1314 32 H 1.7477 -2.6550 -0.8347 H 1 UNL1111111111 0.1433 33 H 2.6554 -0.9459 1.5878 H 1 UNL1111111111 0.1434 34 H -3.9854 1.9673 0.9466 H 1 UNL1111111111 0.1440 35 H -3.7486 1.5395 -0.7723 H 1 UNL1111111111 0.1789 36 H -3.3817 -0.3047 1.5671 H 1 UNL1111111111 0.3036 37 H 6.0535 -1.6756 -0.0703 H 1 UNL1111111111 0.1421 38 H 4.9594 -2.9325 0.5273 H 1 UNL1111111111 0.1414 39 H 5.2838 -1.5004 1.5105 H 1 UNL1111111111 0.1437 40 H 4.3729 0.7954 0.7659 H 1 UNL1111111111 0.1416 41 H 5.0400 0.6269 -0.8632 H 1 UNL1111111111 0.1392 42 H 3.3069 0.9075 -0.6318 H 1 UNL1111111111 0.1749 43 H -1.4648 0.8503 -1.5679 H 1 UNL1111111111 0.1910 44 H -2.0690 2.6765 2.2794 H 1 UNL1111111111 0.1512 45 H 0.3344 3.2505 2.4112 H 1 UNL1111111111 0.1589 46 H 2.3887 3.1578 1.3090 H 1 UNL1111111111 0.3173 47 H 1.7831 0.3727 -3.1603 H 1 UNL1111111111 0.1549 48 H 0.0516 0.8741 -3.2236 H 1 UNL1111111111 0.1389 49 H 0.5679 -0.4736 -2.1340 H 1 UNL1111111111 0.1386 @BOND 1 1 11 2 2 2 19 1 3 2 22 1 4 3 21 1 5 3 46 1 6 4 11 am 7 4 13 1 8 4 36 1 9 5 6 1 10 5 7 1 11 5 23 1 12 5 24 1 13 6 8 1 14 6 25 1 15 6 26 1 16 7 10 1 17 7 27 1 18 7 28 1 19 8 11 1 20 8 29 1 21 8 30 1 22 9 12 1 23 9 15 1 24 9 16 1 25 9 31 1 26 10 12 2 27 10 32 1 28 12 33 1 29 13 14 1 30 13 34 1 31 13 35 1 32 14 17 ar 33 14 18 ar 34 15 37 1 35 15 38 1 36 15 39 1 37 16 40 1 38 16 41 1 39 16 42 1 40 17 19 ar 41 17 43 1 42 18 20 ar 43 18 44 1 44 19 21 ar 45 20 21 ar 46 20 45 1 47 22 47 1 48 22 48 1 49 22 49 1