@MOLECULE (1r,2s,9r,10r)-3,15-diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-ene 41 44 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.0305 0.6633 -0.2960 N.3 1 UNL1111111111 -0.4269 2 N 2.3374 1.0173 1.0508 N.3 1 UNL1111111111 -0.5551 3 C 0.3533 -0.3280 1.5834 C.3 1 UNL1111111111 -0.1237 4 C -0.5983 -1.7733 -0.1893 C.3 1 UNL1111111111 -0.1178 5 C -1.6007 -0.6613 -0.6111 C.3 1 UNL1111111111 0.0598 6 C -0.3086 -1.6843 1.3145 C.3 1 UNL1111111111 -0.2926 7 C 1.7586 -0.3434 0.9129 C.3 1 UNL1111111111 0.0433 8 C -0.5614 0.8205 1.0987 C.3 1 UNL1111111111 -0.1044 9 C 1.6918 -0.8395 -0.5135 C.2 1 UNL1111111111 0.0240 10 C -2.9998 -0.9039 0.0055 C.3 1 UNL1111111111 -0.3283 11 C 0.6596 -1.5538 -0.9784 C.2 1 UNL1111111111 -0.2154 12 C -1.9716 1.7379 -0.6728 C.3 1 UNL1111111111 -0.0996 13 C -3.9586 0.2038 -0.4460 C.3 1 UNL1111111111 -0.2597 14 C -3.3894 1.5812 -0.0848 C.3 1 UNL1111111111 -0.3142 15 C 2.8960 -0.5625 -1.3603 C.3 1 UNL1111111111 -0.2837 16 C 3.2761 0.9157 -1.2195 C.3 1 UNL1111111111 -0.2666 17 C 3.5664 1.2251 0.2568 C.3 1 UNL1111111111 -0.0981 18 H 0.4985 -0.1908 2.6813 H 1 UNL1111111111 0.1246 19 H -1.0394 -2.7666 -0.4303 H 1 UNL1111111111 0.1350 20 H -1.7005 -0.6905 -1.7315 H 1 UNL1111111111 0.1367 21 H -1.2358 -1.7909 1.9035 H 1 UNL1111111111 0.1392 22 H 0.3497 -2.5145 1.6270 H 1 UNL1111111111 0.1402 23 H 2.3927 -1.0937 1.4713 H 1 UNL1111111111 0.1091 24 H -1.4046 0.9233 1.8158 H 1 UNL1111111111 0.1058 25 H 0.0250 1.7726 1.1206 H 1 UNL1111111111 0.1644 26 H -2.9345 -0.9196 1.1075 H 1 UNL1111111111 0.1430 27 H -3.3799 -1.8935 -0.2976 H 1 UNL1111111111 0.1354 28 H 0.6466 -1.9578 -1.9852 H 1 UNL1111111111 0.1432 29 H -2.0231 1.7441 -1.7853 H 1 UNL1111111111 0.1383 30 H -1.5337 2.7143 -0.3762 H 1 UNL1111111111 0.1356 31 H -4.9488 0.0652 0.0230 H 1 UNL1111111111 0.1301 32 H -4.1262 0.1384 -1.5376 H 1 UNL1111111111 0.1357 33 H -4.0455 2.3834 -0.4666 H 1 UNL1111111111 0.1351 34 H -3.3601 1.7036 1.0128 H 1 UNL1111111111 0.1385 35 H 3.7379 -1.2133 -1.0515 H 1 UNL1111111111 0.1404 36 H 2.7029 -0.8029 -2.4240 H 1 UNL1111111111 0.1447 37 H 2.5082 1.2225 2.0345 H 1 UNL1111111111 0.2491 38 H 4.1453 1.1645 -1.8484 H 1 UNL1111111111 0.1285 39 H 2.4311 1.5482 -1.5673 H 1 UNL1111111111 0.1683 40 H 4.4207 0.6127 0.6151 H 1 UNL1111111111 0.1037 41 H 3.8523 2.2944 0.3722 H 1 UNL1111111111 0.1343 @BOND 1 1 5 1 2 1 8 1 3 1 12 1 4 2 7 1 5 2 17 1 6 2 37 1 7 3 6 1 8 3 7 1 9 3 8 1 10 3 18 1 11 4 5 1 12 4 6 1 13 4 11 1 14 4 19 1 15 5 10 1 16 5 20 1 17 6 21 1 18 6 22 1 19 7 9 1 20 7 23 1 21 8 24 1 22 8 25 1 23 9 11 2 24 9 15 1 25 10 13 1 26 10 26 1 27 10 27 1 28 11 28 1 29 12 14 1 30 12 29 1 31 12 30 1 32 13 14 1 33 13 31 1 34 13 32 1 35 14 33 1 36 14 34 1 37 15 16 1 38 15 35 1 39 15 36 1 40 16 17 1 41 16 38 1 42 16 39 1 43 17 40 1 44 17 41 1