@MOLECULE 2-nonyl-1,3,5,6,7,8-hexahydroquinoline-2,3,4a,5,6,7,8,8a-octaid-4-one 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C 9.4867 -0.3785 0.4056 C.3 1 UNL11111111 -0.4395 2 C 8.0846 -0.5034 1.0018 C.3 1 UNL11111111 -0.2506 3 C 7.0160 -0.1234 -0.0317 C.3 1 UNL11111111 -0.2726 4 C 5.6089 -0.2463 0.5668 C.3 1 UNL11111111 -0.2744 5 C 4.5479 0.1352 -0.4732 C.3 1 UNL11111111 -0.2746 6 C 3.1368 0.0128 0.1153 C.3 1 UNL11111111 -0.2710 7 C 2.0832 0.3909 -0.9340 C.3 1 UNL11111111 -0.2739 8 C 0.6720 0.2711 -0.3492 C.3 1 UNL11111111 -0.2580 9 C -0.3819 0.6379 -1.4049 C.3 1 UNL11111111 -0.3127 10 C -1.7529 0.5811 -0.7942 C.3 1 UNL11111111 0.2695 11 C -2.3618 1.6636 -0.2483 C.3 1 UNL11111111 -0.4395 12 C -3.6834 1.5786 0.3551 C.2 1 UNL11111111 0.4996 13 O -4.2453 2.5295 0.8589 O.2 1 UNL11111111 -0.4889 14 C -4.3116 0.2433 0.3186 C.3 1 UNL11111111 -0.2427 15 C -5.5863 0.0507 0.8630 C.3 1 UNL11111111 -0.0193 16 C -6.1779 -1.2030 0.8355 C.3 1 UNL11111111 -0.2362 17 C -5.4977 -2.2847 0.2601 C.3 1 UNL11111111 -0.0475 18 C -4.2355 -2.1217 -0.2865 C.3 1 UNL11111111 -0.2875 19 C -3.6367 -0.8450 -0.2586 C.3 1 UNL11111111 0.2376 20 N -2.3663 -0.6665 -0.8131 N.4 1 UNL11111111 -0.4630 21 H 9.6919 0.6462 0.0761 H 1 UNL11111111 0.1427 22 H 10.2553 -0.6490 1.1380 H 1 UNL11111111 0.1410 23 H 9.6133 -1.0352 -0.4622 H 1 UNL11111111 0.1422 24 H 7.9162 -1.5370 1.3583 H 1 UNL11111111 0.1337 25 H 7.9944 0.1438 1.8947 H 1 UNL11111111 0.1345 26 H 7.1873 0.9092 -0.3888 H 1 UNL11111111 0.1371 27 H 7.1072 -0.7709 -0.9235 H 1 UNL11111111 0.1361 28 H 5.4377 -1.2788 0.9239 H 1 UNL11111111 0.1366 29 H 5.5178 0.4025 1.4578 H 1 UNL11111111 0.1382 30 H 4.7221 1.1685 -0.8279 H 1 UNL11111111 0.1377 31 H 4.6445 -0.5121 -1.3647 H 1 UNL11111111 0.1356 32 H 2.9650 -1.0189 0.4747 H 1 UNL11111111 0.1371 33 H 3.0396 0.6640 1.0045 H 1 UNL11111111 0.1409 34 H 2.2615 1.4236 -1.2903 H 1 UNL11111111 0.1408 35 H 2.1871 -0.2590 -1.8227 H 1 UNL11111111 0.1354 36 H 0.5004 -0.7546 0.0272 H 1 UNL11111111 0.1390 37 H 0.5682 0.9353 0.5329 H 1 UNL11111111 0.1549 38 H -0.1852 1.6600 -1.7969 H 1 UNL11111111 0.1733 39 H -0.2955 -0.0259 -2.2879 H 1 UNL11111111 0.1538 40 H -1.8913 2.6423 -0.2313 H 1 UNL11111111 0.1941 41 H -6.1008 0.9096 1.3083 H 1 UNL11111111 0.1773 42 H -7.1680 -1.3516 1.2588 H 1 UNL11111111 0.1600 43 H -5.9712 -3.2672 0.2439 H 1 UNL11111111 0.1487 44 H -3.7149 -2.9635 -0.7306 H 1 UNL11111111 0.1579 45 H -1.8827 -1.4611 -1.2055 H 1 UNL11111111 0.3166 @BOND 1 39 9 1 2 35 7 1 3 38 9 1 4 9 10 1 5 9 8 1 6 31 5 1 7 34 7 1 8 45 20 1 9 7 8 1 10 7 6 1 11 27 3 1 12 30 5 1 13 20 10 1 14 20 19 1 15 10 11 1 16 44 18 1 17 5 6 1 18 5 4 1 19 23 1 1 20 26 3 1 21 8 36 1 22 8 37 1 23 18 19 1 24 18 17 1 25 19 14 1 26 11 40 1 27 11 12 1 28 3 4 1 29 3 2 1 30 21 1 1 31 6 32 1 32 6 33 1 33 43 17 1 34 17 16 1 35 14 12 1 36 14 15 1 37 12 13 2 38 1 2 1 39 1 22 1 40 4 28 1 41 4 29 1 42 16 15 1 43 16 42 1 44 15 41 1 45 2 24 1 46 2 25 1