@MOLECULE (13s,14e)-14-ethylidene-12-methylene-1,8-diazatetracyclo[11.2.2.0~3,11~.0~5,9~]heptadeca-3(11),4,6,9-tetraene 40 43 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.1632 1.6050 0.7573 N.3 1 UNL1111111111 -0.4174 2 N 3.7324 -0.9131 -0.5119 N.ar 1 UNL1111111111 -0.3756 3 C -2.1130 -0.9768 -0.3521 C.3 1 UNL1111111111 -0.1132 4 C -3.4645 -0.2453 -0.4393 C.3 1 UNL1111111111 -0.3105 5 C -3.3268 1.2499 -0.0828 C.3 1 UNL1111111111 -0.1032 6 C -1.8173 0.5175 1.6876 C.3 1 UNL1111111111 -0.1065 7 C -1.5683 -0.8249 1.0420 C.2 1 UNL1111111111 -0.0606 8 C -1.0059 2.1258 -0.0102 C.3 1 UNL1111111111 -0.1086 9 C -1.1454 -0.4550 -1.3879 C.2 1 UNL1111111111 0.0399 10 C 0.2103 1.2442 -0.1397 C.ar 1 UNL1111111111 -0.0727 11 C 0.1437 0.0263 -0.8639 C.ar 1 UNL1111111111 0.0113 12 C -0.9084 -1.7869 1.6973 C.2 1 UNL1111111111 -0.1761 13 C 1.4025 1.6650 0.4252 C.ar 1 UNL1111111111 -0.1300 14 C 1.2634 -0.7641 -1.0639 C.ar 1 UNL1111111111 -0.2262 15 C 2.5481 0.8804 0.2621 C.ar 1 UNL1111111111 -0.0586 16 C 2.4654 -0.3309 -0.4943 C.ar 1 UNL1111111111 0.1034 17 C -1.4081 -0.4652 -2.6967 C.2 1 UNL1111111111 -0.3667 18 C -0.5985 -3.1263 1.1260 C.3 1 UNL1111111111 -0.4336 19 C 3.9090 1.0034 0.7024 C.ar 1 UNL1111111111 -0.2463 20 C 4.5997 -0.0937 0.2203 C.ar 1 UNL1111111111 -0.0248 21 H -2.2898 -2.0647 -0.5689 H 1 UNL1111111111 0.1553 22 H -4.1784 -0.7310 0.2525 H 1 UNL1111111111 0.1429 23 H -3.8959 -0.3545 -1.4492 H 1 UNL1111111111 0.1416 24 H -3.3222 1.8598 -1.0102 H 1 UNL1111111111 0.1329 25 H -4.2239 1.5748 0.4954 H 1 UNL1111111111 0.1384 26 H -2.6625 0.4284 2.4126 H 1 UNL1111111111 0.1491 27 H -0.9290 0.8391 2.2802 H 1 UNL1111111111 0.1550 28 H -0.7315 3.0748 0.5185 H 1 UNL1111111111 0.1500 29 H -1.3271 2.4351 -1.0324 H 1 UNL1111111111 0.1448 30 H -0.5361 -1.6219 2.7074 H 1 UNL1111111111 0.1480 31 H 1.4633 2.5916 0.9925 H 1 UNL1111111111 0.1603 32 H 1.2089 -1.6864 -1.6318 H 1 UNL1111111111 0.1636 33 H -2.3287 -0.8264 -3.1225 H 1 UNL1111111111 0.1488 34 H -0.7147 -0.1035 -3.4401 H 1 UNL1111111111 0.1571 35 H 0.0212 -3.7300 1.8015 H 1 UNL1111111111 0.1492 36 H -0.0461 -3.0348 0.1779 H 1 UNL1111111111 0.1549 37 H -1.5124 -3.7015 0.9205 H 1 UNL1111111111 0.1510 38 H 4.2953 1.8041 1.2929 H 1 UNL1111111111 0.1640 39 H 3.9715 -1.7636 -0.9602 H 1 UNL1111111111 0.3107 40 H 5.6338 -0.3557 0.3378 H 1 UNL1111111111 0.1585 @BOND 1 1 5 1 2 1 6 1 3 1 8 1 4 2 16 ar 5 2 20 ar 6 2 39 1 7 3 4 1 8 3 7 1 9 3 9 1 10 3 21 1 11 4 5 1 12 4 22 1 13 4 23 1 14 5 24 1 15 5 25 1 16 6 7 1 17 6 26 1 18 6 27 1 19 7 12 2 20 8 10 1 21 8 28 1 22 8 29 1 23 9 11 1 24 9 17 2 25 10 11 ar 26 10 13 ar 27 11 14 ar 28 12 18 1 29 12 30 1 30 13 15 ar 31 13 31 1 32 14 16 ar 33 14 32 1 34 15 16 ar 35 15 19 ar 36 17 33 1 37 17 34 1 38 18 35 1 39 18 36 1 40 18 37 1 41 19 20 ar 42 19 38 1 43 20 40 1