@MOLECULE (1s,4s,6r,9s)-6-methyl-13-azatetracyclo[11.3.1.0~1,9~.0~4,9~]heptadecane-2,8-dione 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9127 -3.0029 -0.0879 O.2 1 UNL1111111111 -0.4382 2 O 0.7523 0.1896 2.2249 O.2 1 UNL1111111111 -0.4613 3 N -2.8959 0.6950 -0.8763 N.3 1 UNL1111111111 -0.4263 4 C 0.4204 0.3273 -0.1583 C.3 1 UNL1111111111 -0.0851 5 C -0.8424 -0.5800 -0.0318 C.3 1 UNL1111111111 -0.0934 6 C 1.2892 -0.4399 -1.2130 C.3 1 UNL1111111111 -0.1073 7 C 0.1230 1.7557 -0.6464 C.3 1 UNL1111111111 -0.2735 8 C -1.8649 -0.3017 -1.1780 C.3 1 UNL1111111111 -0.0955 9 C 1.0876 -1.9243 -0.8706 C.3 1 UNL1111111111 -0.4102 10 C -1.5565 -0.5473 1.3251 C.3 1 UNL1111111111 -0.2570 11 C -0.3042 -1.9901 -0.2898 C.2 1 UNL1111111111 0.4585 12 C 2.7547 -0.0138 -1.2738 C.3 1 UNL1111111111 -0.3013 13 C 1.2143 0.4414 1.1421 C.2 1 UNL1111111111 0.4719 14 C 3.4320 -0.0115 0.1034 C.3 1 UNL1111111111 -0.0523 15 C -1.1359 2.3787 -0.0351 C.3 1 UNL1111111111 -0.3142 16 C 2.6499 0.9068 1.0490 C.3 1 UNL1111111111 -0.3964 17 C -3.0582 -0.7897 1.1690 C.3 1 UNL1111111111 -0.3019 18 C -2.3904 2.0787 -0.8799 C.3 1 UNL1111111111 -0.1003 19 C -3.6798 0.3422 0.3328 C.3 1 UNL1111111111 -0.1034 20 C 4.8827 0.4627 -0.0167 C.3 1 UNL1111111111 -0.4597 21 H 0.8444 -0.2521 -2.2235 H 1 UNL1111111111 0.1424 22 H 0.0305 1.7594 -1.7521 H 1 UNL1111111111 0.1489 23 H 0.9952 2.4094 -0.4437 H 1 UNL1111111111 0.1389 24 H -1.3389 0.0006 -2.1068 H 1 UNL1111111111 0.1342 25 H -2.4043 -1.2514 -1.4218 H 1 UNL1111111111 0.1566 26 H 1.8253 -2.2921 -0.1323 H 1 UNL1111111111 0.1813 27 H 1.1968 -2.5835 -1.7483 H 1 UNL1111111111 0.1763 28 H -1.4009 0.4286 1.8298 H 1 UNL1111111111 0.1600 29 H -1.1160 -1.2974 2.0134 H 1 UNL1111111111 0.1628 30 H 3.3052 -0.6852 -1.9612 H 1 UNL1111111111 0.1476 31 H 2.8273 0.9953 -1.7252 H 1 UNL1111111111 0.1442 32 H 3.4289 -1.0491 0.5203 H 1 UNL1111111111 0.1405 33 H -1.2817 2.0283 1.0051 H 1 UNL1111111111 0.1608 34 H -1.0090 3.4752 0.0394 H 1 UNL1111111111 0.1381 35 H 2.6938 1.9581 0.7096 H 1 UNL1111111111 0.1642 36 H 3.1085 0.9043 2.0601 H 1 UNL1111111111 0.1749 37 H -3.2361 -1.7749 0.6941 H 1 UNL1111111111 0.1591 38 H -3.5441 -0.8421 2.1587 H 1 UNL1111111111 0.1419 39 H -3.2197 2.7498 -0.5607 H 1 UNL1111111111 0.1335 40 H -2.1896 2.3372 -1.9463 H 1 UNL1111111111 0.1362 41 H -4.6815 0.0282 -0.0431 H 1 UNL1111111111 0.1390 42 H -3.8456 1.2321 0.9731 H 1 UNL1111111111 0.1249 43 H 5.3842 0.4617 0.9582 H 1 UNL1111111111 0.1492 44 H 5.4617 -0.1893 -0.6802 H 1 UNL1111111111 0.1460 45 H 4.9482 1.4798 -0.4176 H 1 UNL1111111111 0.1453 @BOND 1 1 11 2 2 2 13 2 3 3 8 1 4 3 18 1 5 3 19 1 6 4 5 1 7 4 6 1 8 4 7 1 9 4 13 1 10 5 8 1 11 5 10 1 12 5 11 1 13 6 9 1 14 6 12 1 15 6 21 1 16 7 15 1 17 7 22 1 18 7 23 1 19 8 24 1 20 8 25 1 21 9 11 1 22 9 26 1 23 9 27 1 24 10 17 1 25 10 28 1 26 10 29 1 27 12 14 1 28 12 30 1 29 12 31 1 30 13 16 1 31 14 16 1 32 14 20 1 33 14 32 1 34 15 18 1 35 15 33 1 36 15 34 1 37 16 35 1 38 16 36 1 39 17 19 1 40 17 37 1 41 17 38 1 42 18 39 1 43 18 40 1 44 19 41 1 45 19 42 1 46 20 43 1 47 20 44 1 48 20 45 1