@MOLECULE 1-methyl-2-[(Z)-tridec-8-enyl]-5,6,7,8-tetrahydro-3H-quinoline-2,3,4a,5,6,7,8,8a-octaid-4-one 58 59 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.3095 -0.2284 3.1767 O.2 1 UNL11111111 -0.4968 2 N 1.5315 -1.6161 -0.6511 N.4 1 UNL11111111 -0.3432 3 C -2.4460 -1.9929 0.0935 C.3 1 UNL11111111 -0.2696 4 C -3.6731 -1.4238 -0.6265 C.3 1 UNL11111111 -0.2698 5 C -1.5301 -2.7204 -0.8985 C.3 1 UNL11111111 -0.2616 6 C -4.5889 -0.6457 0.3291 C.3 1 UNL11111111 -0.2726 7 C -0.2806 -3.2801 -0.2007 C.3 1 UNL11111111 -0.3079 8 C -3.9493 0.6306 0.8907 C.3 1 UNL11111111 -0.2556 9 C 0.6314 -2.1698 0.2491 C.3 1 UNL11111111 0.2816 10 C -3.6098 1.6408 -0.2163 C.3 1 UNL11111111 -0.2752 11 C 2.3806 -0.5721 -0.2562 C.3 1 UNL11111111 0.2389 12 C 0.5630 -1.7362 1.5381 C.3 1 UNL11111111 -0.4610 13 C 2.3272 -0.0850 1.0634 C.3 1 UNL11111111 -0.2471 14 C 1.3837 -0.6553 2.0415 C.2 1 UNL11111111 0.5005 15 C 1.5375 -1.9967 -2.0673 C.3 1 UNL11111111 -0.2479 16 C -2.9974 2.8719 0.3704 C.2 1 UNL11111111 -0.1824 17 C 3.2984 0.0085 -1.1617 C.3 1 UNL11111111 -0.2872 18 C -0.6641 1.9443 0.5873 C.3 1 UNL11111111 -0.2887 19 C -1.7111 3.0025 0.7096 C.2 1 UNL11111111 -0.1380 20 C 3.1628 0.9654 1.4600 C.3 1 UNL11111111 -0.0214 21 C 0.2463 2.2128 -0.6218 C.3 1 UNL11111111 -0.2658 22 C 4.1106 1.0510 -0.7479 C.3 1 UNL11111111 -0.0556 23 C -0.3335 1.6067 -1.9062 C.3 1 UNL11111111 -0.2518 24 C 4.0476 1.5395 0.5624 C.3 1 UNL11111111 -0.2372 25 C 0.6367 1.7773 -3.0752 C.3 1 UNL11111111 -0.4436 26 H -2.7621 -2.6764 0.9025 H 1 UNL11111111 0.1405 27 H -1.8861 -1.1757 0.5938 H 1 UNL11111111 0.1573 28 H -3.3549 -0.7695 -1.4601 H 1 UNL11111111 0.1362 29 H -4.2475 -2.2456 -1.0944 H 1 UNL11111111 0.1286 30 H -1.2424 -2.0294 -1.7134 H 1 UNL11111111 0.1388 31 H -2.0830 -3.5480 -1.3822 H 1 UNL11111111 0.1379 32 H -5.5273 -0.3861 -0.1980 H 1 UNL11111111 0.1319 33 H -4.8894 -1.3019 1.1686 H 1 UNL11111111 0.1346 34 H -0.5892 -3.8876 0.6799 H 1 UNL11111111 0.1718 35 H 0.2441 -4.0042 -0.8544 H 1 UNL11111111 0.1509 36 H -3.0350 0.3827 1.4646 H 1 UNL11111111 0.1481 37 H -4.6364 1.0993 1.6211 H 1 UNL11111111 0.1357 38 H -4.5225 1.8930 -0.7897 H 1 UNL11111111 0.1343 39 H -2.9195 1.1775 -0.9511 H 1 UNL11111111 0.1461 40 H -0.1234 -2.1823 2.2531 H 1 UNL11111111 0.1944 41 H 0.8230 -2.8032 -2.2952 H 1 UNL11111111 0.1614 42 H 1.2655 -1.1294 -2.7021 H 1 UNL11111111 0.1610 43 H 2.5396 -2.3605 -2.3633 H 1 UNL11111111 0.1551 44 H -3.6947 3.6960 0.5125 H 1 UNL11111111 0.1364 45 H 3.3812 -0.3499 -2.1821 H 1 UNL11111111 0.1582 46 H -1.1059 0.9312 0.5157 H 1 UNL11111111 0.1476 47 H -0.0527 1.9141 1.5164 H 1 UNL11111111 0.1577 48 H -1.3393 3.9438 1.1178 H 1 UNL11111111 0.1379 49 H 3.0957 1.3232 2.4943 H 1 UNL11111111 0.1795 50 H 1.2519 1.7908 -0.4295 H 1 UNL11111111 0.1428 51 H 0.4026 3.2995 -0.7506 H 1 UNL11111111 0.1412 52 H 4.8103 1.5008 -1.4535 H 1 UNL11111111 0.1476 53 H -1.3017 2.0898 -2.1407 H 1 UNL11111111 0.1409 54 H -0.5554 0.5345 -1.7505 H 1 UNL11111111 0.1259 55 H 4.6906 2.3606 0.8678 H 1 UNL11111111 0.1603 56 H 0.7918 2.8370 -3.3080 H 1 UNL11111111 0.1448 57 H 1.6193 1.3505 -2.8442 H 1 UNL11111111 0.1395 58 H 0.2605 1.2933 -3.9812 H 1 UNL11111111 0.1343 @BOND 1 58 25 1 2 56 25 1 3 25 57 1 4 25 23 1 5 42 15 1 6 43 15 1 7 41 15 1 8 45 17 1 9 53 23 1 10 15 2 1 11 23 54 1 12 23 21 1 13 30 5 1 14 28 4 1 15 52 22 1 16 31 5 1 17 17 22 1 18 17 11 1 19 29 4 1 20 39 10 1 21 5 7 1 22 5 3 1 23 35 7 1 24 38 10 1 25 51 21 1 26 22 24 1 27 2 11 1 28 2 9 1 29 4 3 1 30 4 6 1 31 21 50 1 32 21 18 1 33 11 13 1 34 10 16 1 35 10 8 1 36 7 9 1 37 7 34 1 38 32 6 1 39 3 27 1 40 3 26 1 41 9 12 1 42 6 8 1 43 6 33 1 44 16 44 1 45 16 19 2 46 46 18 1 47 24 55 1 48 24 20 1 49 18 19 1 50 18 47 1 51 19 48 1 52 8 36 1 53 8 37 1 54 13 20 1 55 13 14 1 56 20 49 1 57 12 14 1 58 12 40 1 59 14 1 2