@MOLECULE (2e,4e,12e)-13-(1,3-benzodioxol-5-yl)-n-isobutyl-2,4,12-tridecatrienamide 61 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.9917 2.7643 -1.7107 O.3 1 UNL1111111111 -0.3431 2 O -5.6182 4.3204 0.0213 O.3 1 UNL1111111111 -0.3418 3 O 6.2305 -0.2092 -1.4810 O.2 1 UNL1111111111 -0.5471 4 N 6.4638 1.3582 0.1308 N.am 1 UNL1111111111 -0.6027 5 C -2.9027 -3.5121 -0.9843 C.3 1 UNL1111111111 -0.2696 6 C -1.7244 -3.7210 -0.0250 C.3 1 UNL1111111111 -0.2727 7 C -4.1897 -4.1610 -0.4559 C.3 1 UNL1111111111 -0.2600 8 C -0.4405 -3.1279 -0.6159 C.3 1 UNL1111111111 -0.2638 9 C -4.7392 -3.4623 0.7990 C.3 1 UNL1111111111 -0.2865 10 C 0.7314 -3.2809 0.3665 C.3 1 UNL1111111111 -0.2964 11 C 8.9487 1.2569 0.3237 C.3 1 UNL1111111111 -0.0926 12 C -5.0704 -2.0334 0.5167 C.2 1 UNL1111111111 -0.1053 13 C 1.9761 -2.7200 -0.2354 C.2 1 UNL1111111111 -0.0801 14 C 7.7280 1.8385 -0.4315 C.3 1 UNL1111111111 -0.0801 15 C -4.3633 -1.0168 1.0273 C.2 1 UNL1111111111 -0.2004 16 C 10.2192 1.5677 -0.4726 C.3 1 UNL1111111111 -0.4550 17 C 9.0501 1.8383 1.7366 C.3 1 UNL1111111111 -0.4540 18 C -4.6796 0.3889 0.7825 C.ar 1 UNL1111111111 0.0141 19 C 2.6920 -1.7421 0.3386 C.2 1 UNL1111111111 -0.2301 20 C -5.1986 0.7911 -0.4688 C.ar 1 UNL1111111111 -0.2054 21 C -5.4780 2.1275 -0.6074 C.ar 1 UNL1111111111 0.1371 22 C -4.4565 1.3164 1.8032 C.ar 1 UNL1111111111 -0.1698 23 C -5.2564 3.0604 0.4317 C.ar 1 UNL1111111111 0.1169 24 C -4.7452 2.6838 1.6497 C.ar 1 UNL1111111111 -0.1784 25 C 5.8141 0.2801 -0.4456 C.2 1 UNL1111111111 0.5914 26 C 3.9013 -1.2169 -0.2740 C.2 1 UNL1111111111 -0.0189 27 C 4.5949 -0.1912 0.2455 C.2 1 UNL1111111111 -0.3223 28 C -6.0867 4.1567 -1.3359 C.3 1 UNL1111111111 0.1583 29 H -3.0682 -2.4283 -1.1464 H 1 UNL1111111111 0.1503 30 H -2.6587 -3.9334 -1.9780 H 1 UNL1111111111 0.1336 31 H -1.9455 -3.2474 0.9503 H 1 UNL1111111111 0.1383 32 H -1.5885 -4.7980 0.1826 H 1 UNL1111111111 0.1340 33 H -4.9579 -4.1498 -1.2518 H 1 UNL1111111111 0.1370 34 H -4.0053 -5.2291 -0.2301 H 1 UNL1111111111 0.1342 35 H -0.5919 -2.0565 -0.8535 H 1 UNL1111111111 0.1472 36 H -0.2014 -3.6213 -1.5766 H 1 UNL1111111111 0.1392 37 H -4.0089 -3.5544 1.6275 H 1 UNL1111111111 0.1445 38 H -5.6468 -3.9955 1.1517 H 1 UNL1111111111 0.1446 39 H 0.4811 -2.7920 1.3291 H 1 UNL1111111111 0.1479 40 H 0.8845 -4.3532 0.6130 H 1 UNL1111111111 0.1524 41 H 8.8246 0.1481 0.3921 H 1 UNL1111111111 0.1473 42 H -5.9299 -1.8774 -0.1340 H 1 UNL1111111111 0.1475 43 H 2.2667 -3.1645 -1.1889 H 1 UNL1111111111 0.1479 44 H 7.7384 2.9491 -0.3951 H 1 UNL1111111111 0.1340 45 H 7.7822 1.5485 -1.5100 H 1 UNL1111111111 0.1710 46 H -3.5043 -1.1926 1.6774 H 1 UNL1111111111 0.1559 47 H 10.3651 2.6454 -0.6001 H 1 UNL1111111111 0.1437 48 H 10.1851 1.1143 -1.4708 H 1 UNL1111111111 0.1502 49 H 11.1085 1.1735 0.0316 H 1 UNL1111111111 0.1466 50 H 9.1273 2.9305 1.7200 H 1 UNL1111111111 0.1434 51 H 9.9373 1.4574 2.2560 H 1 UNL1111111111 0.1463 52 H 8.1813 1.5711 2.3460 H 1 UNL1111111111 0.1375 53 H 6.2014 1.7160 1.0301 H 1 UNL1111111111 0.3035 54 H 2.3933 -1.2969 1.2878 H 1 UNL1111111111 0.1568 55 H -5.3565 0.0797 -1.2723 H 1 UNL1111111111 0.1767 56 H -4.0518 0.9760 2.7558 H 1 UNL1111111111 0.1603 57 H -4.5710 3.3942 2.4508 H 1 UNL1111111111 0.1726 58 H 4.2375 -1.6986 -1.2033 H 1 UNL1111111111 0.1710 59 H 4.3006 0.3187 1.1556 H 1 UNL1111111111 0.1604 60 H -7.1483 4.4382 -1.3612 H 1 UNL1111111111 0.1409 61 H -5.4158 4.7268 -1.9934 H 1 UNL1111111111 0.1414 @BOND 1 1 21 1 2 1 28 1 3 2 23 1 4 2 28 1 5 3 25 2 6 4 14 1 7 4 25 am 8 4 53 1 9 5 6 1 10 5 7 1 11 5 29 1 12 5 30 1 13 6 8 1 14 6 31 1 15 6 32 1 16 7 9 1 17 7 33 1 18 7 34 1 19 8 10 1 20 8 35 1 21 8 36 1 22 9 12 1 23 9 37 1 24 9 38 1 25 10 13 1 26 10 39 1 27 10 40 1 28 11 14 1 29 11 16 1 30 11 17 1 31 11 41 1 32 12 15 2 33 12 42 1 34 13 19 2 35 13 43 1 36 14 44 1 37 14 45 1 38 15 18 1 39 15 46 1 40 16 47 1 41 16 48 1 42 16 49 1 43 17 50 1 44 17 51 1 45 17 52 1 46 18 20 ar 47 18 22 ar 48 19 26 1 49 19 54 1 50 20 21 ar 51 20 55 1 52 21 23 ar 53 22 24 ar 54 22 56 1 55 23 24 ar 56 24 57 1 57 25 27 1 58 26 27 2 59 26 58 1 60 27 59 1 61 28 60 1 62 28 61 1