@MOLECULE 1-[(7s,8as)-5-{[(2r,6r)-6-{[(7s,8as)-1,7-dimethyl-1,2,3,4,6,7,8,8a-octahydro-5-quinolinyl]methyl}-2-piperidinyl]methyl}-7-methyl-3,4,6,7,8,8a-hexahydro-1(2h)-quinolinyl]ethanone 77 81 0 0 0 SMALL USER_CHARGES @ATOM 1 O -6.6789 2.1921 1.1305 O.2 1 UNL111111 -0.6621 2 N 0.5730 -2.4413 -0.2589 N.3 1 UNL111111 -0.5825 3 N 6.0775 1.5409 -0.8980 N.3 1 UNL111111 -0.4585 4 N -5.2072 1.5013 -0.5076 N.am 1 UNL111111 -0.4808 5 C 1.5292 -1.3531 0.0543 C.3 1 UNL111111 0.0891 6 C -0.8089 -1.9635 -0.5087 C.3 1 UNL111111 0.0758 7 C 5.9217 0.4705 0.1714 C.3 1 UNL111111 0.0865 8 C -4.9618 0.3109 0.3305 C.3 1 UNL111111 0.0613 9 C 3.9440 -0.9868 0.6311 C.2 1 UNL111111 0.0658 10 C 4.8796 -0.5438 -0.2261 C.2 1 UNL111111 -0.1627 11 C -2.9571 -1.1764 0.5370 C.2 1 UNL111111 -0.0609 12 C 2.9160 -2.0155 0.2844 C.3 1 UNL111111 -0.3426 13 C -3.4870 0.0546 0.5520 C.2 1 UNL111111 -0.0444 14 C -1.5035 -1.4576 0.7837 C.3 1 UNL111111 -0.3388 15 C 5.1330 0.1687 2.5327 C.3 1 UNL111111 -0.0607 16 C 5.6074 1.1929 1.4907 C.3 1 UNL111111 -0.3482 17 C -5.2829 -2.1728 0.4034 C.3 1 UNL111111 -0.0635 18 C 3.8256 -0.4588 2.0275 C.3 1 UNL111111 -0.3134 19 C -5.6741 -0.8868 -0.3303 C.3 1 UNL111111 -0.3002 20 C -3.7681 -2.4058 0.2462 C.3 1 UNL111111 -0.2853 21 C 1.5761 -0.3750 -1.1362 C.3 1 UNL111111 -0.2978 22 C -0.8243 -0.8954 -1.6185 C.3 1 UNL111111 -0.2823 23 C 0.1847 0.2260 -1.3579 C.3 1 UNL111111 -0.2508 24 C 5.0162 -1.0604 -1.6254 C.3 1 UNL111111 -0.2663 25 C -2.7382 1.3204 0.8388 C.3 1 UNL111111 -0.2782 26 C 5.0492 0.1123 -2.6090 C.3 1 UNL111111 -0.2854 27 C 6.2521 0.9950 -2.2812 C.3 1 UNL111111 -0.0930 28 C -2.8103 2.2825 -0.3607 C.3 1 UNL111111 -0.3061 29 C -4.0291 1.9550 -1.2554 C.3 1 UNL111111 -0.0791 30 C 4.9159 0.8585 3.8790 C.3 1 UNL111111 -0.4531 31 C -6.0657 -3.3627 -0.1631 C.3 1 UNL111111 -0.4531 32 C 6.0006 2.7965 -0.6738 C.3 1 UNL111111 0.4230 33 C -5.9939 2.5291 0.1294 C.2 1 UNL111111 0.2104 34 C -6.0861 3.8024 -0.3673 C.3 1 UNL111111 0.0446 35 H 1.2348 -0.7922 0.9781 H 1 UNL111111 0.1132 36 H -1.3668 -2.8664 -0.8831 H 1 UNL111111 0.1401 37 H 6.9183 -0.0465 0.2419 H 1 UNL111111 0.1552 38 H -5.4410 0.4808 1.3489 H 1 UNL111111 0.1887 39 H 3.1817 -2.6075 -0.6172 H 1 UNL111111 0.1703 40 H 2.8415 -2.7751 1.0920 H 1 UNL111111 0.1612 41 H -0.9773 -0.5595 1.1595 H 1 UNL111111 0.1454 42 H -1.4031 -2.2109 1.5855 H 1 UNL111111 0.1387 43 H 5.9025 -0.6317 2.6493 H 1 UNL111111 0.1421 44 H 6.4954 1.7408 1.8651 H 1 UNL111111 0.1526 45 H 4.8144 1.9616 1.3537 H 1 UNL111111 0.1637 46 H -5.5199 -2.0609 1.4883 H 1 UNL111111 0.1386 47 H 3.0026 0.2913 2.0562 H 1 UNL111111 0.1720 48 H 3.5058 -1.2584 2.7283 H 1 UNL111111 0.1689 49 H -6.7670 -0.7149 -0.2864 H 1 UNL111111 0.1601 50 H -5.4191 -0.9418 -1.4007 H 1 UNL111111 0.1434 51 H -3.5558 -2.7376 -0.7917 H 1 UNL111111 0.1412 52 H -3.4565 -3.2405 0.9024 H 1 UNL111111 0.1328 53 H 1.8994 -0.9166 -2.0467 H 1 UNL111111 0.1478 54 H 2.3208 0.4148 -0.9518 H 1 UNL111111 0.1168 55 H -1.8496 -0.4760 -1.7004 H 1 UNL111111 0.1652 56 H -0.6033 -1.3787 -2.5902 H 1 UNL111111 0.1404 57 H 0.5765 -3.1474 0.4747 H 1 UNL111111 0.2537 58 H 0.2006 0.9282 -2.2104 H 1 UNL111111 0.1308 59 H -0.1247 0.8221 -0.4783 H 1 UNL111111 0.1433 60 H 5.9339 -1.6787 -1.7182 H 1 UNL111111 0.1520 61 H 4.1821 -1.7500 -1.8909 H 1 UNL111111 0.1755 62 H -3.2092 1.8084 1.7277 H 1 UNL111111 0.1641 63 H -1.6872 1.1411 1.1212 H 1 UNL111111 0.1246 64 H 5.1038 -0.2461 -3.6547 H 1 UNL111111 0.1639 65 H 4.0984 0.6853 -2.5401 H 1 UNL111111 0.1669 66 H 7.2023 0.4138 -2.3136 H 1 UNL111111 0.1608 67 H 6.3534 1.8331 -3.0040 H 1 UNL111111 0.1528 68 H -2.8883 3.3228 0.0019 H 1 UNL111111 0.1428 69 H -1.8890 2.2260 -0.9623 H 1 UNL111111 0.1222 70 H -4.3076 2.8416 -1.8650 H 1 UNL111111 0.1322 71 H -3.7594 1.1481 -1.9728 H 1 UNL111111 0.1314 72 H 4.1854 1.6766 3.8084 H 1 UNL111111 0.1541 73 H 5.8540 1.2905 4.2665 H 1 UNL111111 0.1482 74 H 4.5495 0.1577 4.6393 H 1 UNL111111 0.1583 75 H -5.9032 -3.4711 -1.2410 H 1 UNL111111 0.1394 76 H -7.1374 -3.2227 -0.0088 H 1 UNL111111 0.1471 77 H -5.7763 -4.3009 0.3168 H 1 UNL111111 0.1307 @BOND 1 74 30 1 2 73 30 1 3 30 72 1 4 30 15 1 5 48 18 1 6 43 15 1 7 15 18 1 8 15 16 1 9 47 18 1 10 18 9 1 11 44 16 1 12 62 25 1 13 42 14 1 14 46 17 1 15 16 45 1 16 16 7 1 17 38 8 1 18 41 14 1 19 1 33 2 20 40 12 1 21 63 25 1 22 35 5 1 23 52 20 1 24 25 13 1 25 25 28 1 26 14 11 1 27 14 6 1 28 9 12 1 29 9 10 2 30 13 11 2 31 13 8 1 32 11 20 1 33 57 2 1 34 17 20 1 35 17 31 1 36 17 19 1 37 8 19 1 38 8 4 1 39 37 7 1 40 77 31 1 41 12 5 1 42 12 39 1 43 20 51 1 44 7 10 1 45 7 3 1 46 33 34 1 47 33 4 am 48 5 2 1 49 5 21 1 50 68 28 1 51 76 31 1 52 31 75 1 53 10 24 1 54 2 6 1 55 49 19 1 56 19 50 1 57 28 69 1 58 28 29 1 59 4 29 1 60 59 23 1 61 6 36 1 62 6 22 1 63 32 3 1 64 3 27 1 65 54 21 1 66 21 23 1 67 21 53 1 68 29 70 1 69 29 71 1 70 23 22 1 71 23 58 1 72 24 60 1 73 24 61 1 74 24 26 1 75 22 55 1 76 22 56 1 77 27 66 1 78 27 26 1 79 27 67 1 80 65 26 1 81 26 64 1