@MOLECULE methyl 2-[(3e)-3-pentadecen-1-yl]-2h-azirene-3-carboxylate 55 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9766 0.6297 -1.6552 O.3 1 UNL1111111111 -0.3700 2 O -0.1599 1.9550 -1.8526 O.2 1 UNL1111111111 -0.4188 3 N -1.0971 2.5594 1.2125 N.2 1 UNL1111111111 -0.1801 4 C 1.0560 -1.3636 0.6219 C.3 1 UNL1111111111 -0.2706 5 C 2.4211 -1.5146 -0.0606 C.3 1 UNL1111111111 -0.2690 6 C 0.0099 -2.2647 -0.0466 C.3 1 UNL1111111111 -0.2736 7 C -2.2539 1.6018 1.3754 C.3 1 UNL1111111111 -0.0782 8 C 3.4460 -0.5662 0.5749 C.3 1 UNL1111111111 -0.2701 9 C -1.3838 -1.9728 0.5185 C.3 1 UNL1111111111 -0.2767 10 C 4.8100 -0.7010 -0.1138 C.3 1 UNL1111111111 -0.2752 11 C -3.6582 2.1456 1.4454 C.3 1 UNL1111111111 -0.2714 12 C -2.4416 -2.8959 -0.0995 C.3 1 UNL1111111111 -0.2556 13 C -1.3867 1.8503 0.1868 C.2 1 UNL1111111111 -0.0517 14 C 5.8331 0.2480 0.5233 C.3 1 UNL1111111111 -0.2709 15 C -4.6130 1.2825 0.6020 C.3 1 UNL1111111111 -0.2699 16 C -3.8539 -2.5118 0.3788 C.3 1 UNL1111111111 -0.2833 17 C 7.1984 0.1183 -0.1649 C.3 1 UNL1111111111 -0.2519 18 C -4.4584 -0.1636 0.9504 C.2 1 UNL1111111111 -0.1862 19 C -4.1320 -1.0837 0.0391 C.2 1 UNL1111111111 -0.1412 20 C -1.0679 1.5262 -1.1921 C.2 1 UNL1111111111 0.6009 21 C 8.2178 1.0692 0.4631 C.3 1 UNL1111111111 -0.4399 22 C -1.7527 0.1682 -2.9860 C.3 1 UNL1111111111 -0.1787 23 H 0.7327 -0.3060 0.5839 H 1 UNL1111111111 0.1342 24 H 1.1398 -1.6161 1.6955 H 1 UNL1111111111 0.1379 25 H 2.7717 -2.5597 0.0142 H 1 UNL1111111111 0.1334 26 H 2.3298 -1.2994 -1.1424 H 1 UNL1111111111 0.1363 27 H 0.2696 -3.3275 0.1061 H 1 UNL1111111111 0.1361 28 H 0.0145 -2.1058 -1.1409 H 1 UNL1111111111 0.1334 29 H -2.0885 0.7077 1.9933 H 1 UNL1111111111 0.1758 30 H 3.5428 -0.7803 1.6551 H 1 UNL1111111111 0.1353 31 H 3.0885 0.4792 0.5023 H 1 UNL1111111111 0.1436 32 H -1.6523 -0.9146 0.3153 H 1 UNL1111111111 0.1450 33 H -1.3842 -2.0812 1.6178 H 1 UNL1111111111 0.1362 34 H 4.7113 -0.4809 -1.1934 H 1 UNL1111111111 0.1370 35 H 5.1677 -1.7446 -0.0474 H 1 UNL1111111111 0.1332 36 H -3.9954 2.1695 2.5019 H 1 UNL1111111111 0.1570 37 H -3.7008 3.1991 1.1012 H 1 UNL1111111111 0.1545 38 H -2.3915 -2.8437 -1.2032 H 1 UNL1111111111 0.1338 39 H -2.2288 -3.9465 0.1676 H 1 UNL1111111111 0.1334 40 H 5.9321 0.0304 1.6029 H 1 UNL1111111111 0.1353 41 H 5.4741 1.2922 0.4567 H 1 UNL1111111111 0.1398 42 H -4.4177 1.4574 -0.4764 H 1 UNL1111111111 0.1494 43 H -5.6605 1.6062 0.7707 H 1 UNL1111111111 0.1483 44 H -4.6063 -3.1713 -0.0983 H 1 UNL1111111111 0.1428 45 H -3.9449 -2.6978 1.4671 H 1 UNL1111111111 0.1437 46 H 7.5605 -0.9243 -0.0946 H 1 UNL1111111111 0.1317 47 H 7.0986 0.3321 -1.2458 H 1 UNL1111111111 0.1337 48 H -4.6042 -0.4051 1.9999 H 1 UNL1111111111 0.1451 49 H -4.0011 -0.8327 -1.0134 H 1 UNL1111111111 0.1474 50 H 8.3594 0.8570 1.5285 H 1 UNL1111111111 0.1416 51 H 9.1952 0.9812 -0.0233 H 1 UNL1111111111 0.1386 52 H 7.8981 2.1136 0.3745 H 1 UNL1111111111 0.1433 53 H -2.5625 -0.5576 -3.1287 H 1 UNL1111111111 0.1506 54 H -0.7711 -0.3127 -3.0651 H 1 UNL1111111111 0.1477 55 H -1.8323 1.0020 -3.6922 H 1 UNL1111111111 0.1470 @BOND 1 1 20 1 2 1 22 1 3 2 20 2 4 3 7 1 5 3 13 2 6 4 5 1 7 4 6 1 8 4 23 1 9 4 24 1 10 5 8 1 11 5 25 1 12 5 26 1 13 6 9 1 14 6 27 1 15 6 28 1 16 7 11 1 17 7 13 1 18 7 29 1 19 8 10 1 20 8 30 1 21 8 31 1 22 9 12 1 23 9 32 1 24 9 33 1 25 10 14 1 26 10 34 1 27 10 35 1 28 11 15 1 29 11 36 1 30 11 37 1 31 12 16 1 32 12 38 1 33 12 39 1 34 13 20 1 35 14 17 1 36 14 40 1 37 14 41 1 38 15 18 1 39 15 42 1 40 15 43 1 41 16 19 1 42 16 44 1 43 16 45 1 44 17 21 1 45 17 46 1 46 17 47 1 47 18 19 2 48 18 48 1 49 19 49 1 50 21 50 1 51 21 51 1 52 21 52 1 53 22 53 1 54 22 54 1 55 22 55 1