@MOLECULE 6-methyl-9-azatricyclo[7.4.3.0~4,13~]hexadec-1(13)-ene-2,8-dione 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0263 3.1747 -1.1527 O.2 1 UNL1111111111 -0.4422 2 O 0.1294 -0.9852 -2.1526 O.2 1 UNL1111111111 -0.5501 3 N 1.4090 -1.5394 -0.3976 N.am 1 UNL1111111111 -0.5085 4 C -1.5637 0.9962 1.2536 C.3 1 UNL1111111111 -0.1257 5 C -0.0686 0.6953 1.2852 C.2 1 UNL1111111111 0.0361 6 C -2.4467 -0.2199 0.9424 C.3 1 UNL1111111111 -0.2958 7 C -1.7202 2.1213 0.2059 C.3 1 UNL1111111111 -0.4028 8 C -2.1908 -0.8891 -0.4229 C.3 1 UNL1111111111 -0.0562 9 C 0.6128 1.4451 0.4002 C.2 1 UNL1111111111 -0.1743 10 C 0.4024 -0.2452 2.3345 C.3 1 UNL1111111111 -0.2802 11 C -0.3180 2.3583 -0.3224 C.2 1 UNL1111111111 0.4789 12 C 2.0486 1.4989 0.0394 C.3 1 UNL1111111111 -0.2477 13 C 1.7168 -0.9761 2.0513 C.3 1 UNL1111111111 -0.3007 14 C -1.0751 -1.9541 -0.3477 C.3 1 UNL1111111111 -0.3800 15 C 2.3198 0.6833 -1.2339 C.3 1 UNL1111111111 -0.2964 16 C 1.6007 -2.0526 0.9567 C.3 1 UNL1111111111 -0.0586 17 C 2.5473 -0.8231 -1.0009 C.3 1 UNL1111111111 -0.0481 18 C 0.1764 -1.4304 -1.0194 C.2 1 UNL1111111111 0.5920 19 C -3.4888 -1.5420 -0.9185 C.3 1 UNL1111111111 -0.4524 20 H -1.8604 1.3857 2.2593 H 1 UNL1111111111 0.1459 21 H -2.3533 -0.9681 1.7513 H 1 UNL1111111111 0.1361 22 H -3.5053 0.1150 0.9861 H 1 UNL1111111111 0.1498 23 H -2.1337 3.0451 0.6433 H 1 UNL1111111111 0.1725 24 H -2.4046 1.8516 -0.6181 H 1 UNL1111111111 0.1828 25 H -1.8911 -0.1071 -1.1691 H 1 UNL1111111111 0.1681 26 H 0.5175 0.3386 3.2800 H 1 UNL1111111111 0.1570 27 H -0.3862 -0.9968 2.5601 H 1 UNL1111111111 0.1502 28 H 2.3384 2.5601 -0.1488 H 1 UNL1111111111 0.1613 29 H 2.7004 1.1621 0.8682 H 1 UNL1111111111 0.1374 30 H 2.5085 -0.2480 1.7803 H 1 UNL1111111111 0.1603 31 H 2.0699 -1.4599 2.9839 H 1 UNL1111111111 0.1393 32 H -1.3805 -2.8731 -0.8938 H 1 UNL1111111111 0.1753 33 H -0.9135 -2.2705 0.6952 H 1 UNL1111111111 0.1532 34 H 1.4770 0.8254 -1.9495 H 1 UNL1111111111 0.1888 35 H 3.2076 1.0930 -1.7534 H 1 UNL1111111111 0.1436 36 H 2.5353 -2.6674 0.9544 H 1 UNL1111111111 0.1383 37 H 0.7819 -2.7630 1.2100 H 1 UNL1111111111 0.1372 38 H 2.7444 -1.3029 -1.9930 H 1 UNL1111111111 0.1510 39 H 3.4510 -0.9773 -0.3748 H 1 UNL1111111111 0.1263 40 H -3.3444 -1.9988 -1.9063 H 1 UNL1111111111 0.1554 41 H -3.8387 -2.3218 -0.2359 H 1 UNL1111111111 0.1387 42 H -4.2914 -0.8040 -1.0256 H 1 UNL1111111111 0.1445 @BOND 1 1 11 2 2 2 18 2 3 3 16 1 4 3 17 1 5 3 18 am 6 4 5 1 7 4 6 1 8 4 7 1 9 4 20 1 10 5 9 2 11 5 10 1 12 6 8 1 13 6 21 1 14 6 22 1 15 7 11 1 16 7 23 1 17 7 24 1 18 8 14 1 19 8 19 1 20 8 25 1 21 9 11 1 22 9 12 1 23 10 13 1 24 10 26 1 25 10 27 1 26 12 15 1 27 12 28 1 28 12 29 1 29 13 16 1 30 13 30 1 31 13 31 1 32 14 18 1 33 14 32 1 34 14 33 1 35 15 17 1 36 15 34 1 37 15 35 1 38 16 36 1 39 16 37 1 40 17 38 1 41 17 39 1 42 19 40 1 43 19 41 1 44 19 42 1