@MOLECULE (4ar,5r,7r,8ar)-5-{[(1r,2r,5s,7r,9r,11r,13r,17r)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.0~2,7~.0~13,17~]heptadec-5-yl]methyl}-7-methyloctahydro-1(2h)-quinolinecarbaldehyde 82 87 0 0 0 SMALL USER_CHARGES @ATOM 1 O 4.9246 -3.4514 1.4811 O.2 1 UNL11 -0.5356 2 N -4.6660 -0.5889 1.3300 N.3 1 UNL11 -0.4503 3 N -0.3905 2.4921 -1.1509 N.3 1 UNL11 -0.5804 4 N 4.0963 -1.9765 -0.0214 N.am 1 UNL11 -0.5077 5 C -3.4846 -0.2701 -0.7097 C.3 1 UNL11 -0.1796 6 C -2.6973 -0.4986 -1.9770 C.3 1 UNL11 -0.1057 7 C -3.9047 1.7239 0.4290 C.3 1 UNL11 -0.1276 8 C -2.5307 2.3590 0.0261 C.3 1 UNL11 -0.1347 9 C -4.2395 -1.3267 0.0865 C.3 1 UNL11 0.0566 10 C -1.4573 1.5210 -0.7802 C.3 1 UNL11 0.0625 11 C -4.3906 0.9646 -0.7989 C.3 1 UNL11 -0.2820 12 C -1.8665 0.8183 -2.1258 C.3 1 UNL11 -0.3105 13 C -1.8392 -1.7574 -1.7609 C.3 1 UNL11 -0.3004 14 C -3.9359 0.6978 1.6291 C.3 1 UNL11 -0.1100 15 C -3.2807 -2.5305 0.2317 C.3 1 UNL11 -0.3382 16 C -1.8432 2.9012 1.2912 C.3 1 UNL11 -0.2789 17 C -2.6911 -2.8963 -1.1511 C.3 1 UNL11 -0.0679 18 C 0.3365 3.0611 0.0009 C.3 1 UNL11 0.0702 19 C -0.6654 3.8014 0.9112 C.3 1 UNL11 -0.2855 20 C 2.2944 1.4131 -0.0012 C.3 1 UNL11 -0.1146 21 C 1.1486 2.0262 0.8214 C.3 1 UNL11 -0.3519 22 C 2.6012 -0.0345 0.4436 C.3 1 UNL11 -0.1554 23 C 3.8175 -0.5709 -0.3689 C.3 1 UNL11 0.0773 24 C 3.5426 2.3020 0.1415 C.3 1 UNL11 -0.3034 25 C -4.6563 -1.4503 2.5250 C.3 1 UNL11 -0.2700 26 C -1.8301 -4.1566 -1.0091 C.3 1 UNL11 -0.4538 27 C 4.7158 1.7446 -0.6782 C.3 1 UNL11 -0.0677 28 C 5.0485 0.3301 -0.1748 C.3 1 UNL11 -0.3278 29 C 1.3903 -0.9500 0.1808 C.3 1 UNL11 -0.2766 30 C 1.7158 -2.4129 0.4951 C.3 1 UNL11 -0.2974 31 C 2.9549 -2.8668 -0.2957 C.3 1 UNL11 -0.0722 32 C 5.9384 2.6561 -0.5416 C.3 1 UNL11 -0.4543 33 C 4.9638 -2.3356 0.9999 C.2 1 UNL11 0.4591 34 H -2.6149 -0.1077 0.0267 H 1 UNL11 0.1651 35 H -3.3425 -0.6311 -2.8689 H 1 UNL11 0.1386 36 H -4.5879 2.5603 0.6890 H 1 UNL11 0.1325 37 H -2.7876 3.2205 -0.6427 H 1 UNL11 0.1564 38 H -5.1902 -1.6584 -0.3927 H 1 UNL11 0.1408 39 H -1.0602 0.7275 -0.0936 H 1 UNL11 0.1080 40 H -4.2851 1.5366 -1.7310 H 1 UNL11 0.1396 41 H -5.4628 0.7050 -0.7361 H 1 UNL11 0.1550 42 H -2.4376 1.5423 -2.7331 H 1 UNL11 0.1533 43 H -0.9546 0.5910 -2.7047 H 1 UNL11 0.1359 44 H -0.9880 -1.5334 -1.0940 H 1 UNL11 0.1394 45 H -1.4017 -2.0893 -2.7183 H 1 UNL11 0.1390 46 H -4.4992 1.1665 2.4631 H 1 UNL11 0.1359 47 H -2.9059 0.5105 1.9890 H 1 UNL11 0.1106 48 H -2.4672 -2.2974 0.9391 H 1 UNL11 0.1432 49 H -3.8154 -3.3993 0.6504 H 1 UNL11 0.1390 50 H -2.5694 3.4724 1.8994 H 1 UNL11 0.1367 51 H -1.4993 2.0698 1.9328 H 1 UNL11 0.1336 52 H -3.5373 -3.1079 -1.8474 H 1 UNL11 0.1322 53 H 1.0511 3.8152 -0.4273 H 1 UNL11 0.1302 54 H 0.2639 2.0754 -1.8128 H 1 UNL11 0.2561 55 H -0.1547 4.1779 1.8138 H 1 UNL11 0.1321 56 H -1.0419 4.6939 0.3728 H 1 UNL11 0.1478 57 H 2.0065 1.3829 -1.0796 H 1 UNL11 0.1313 58 H 1.5478 2.5102 1.7309 H 1 UNL11 0.1476 59 H 0.4678 1.2428 1.2007 H 1 UNL11 0.1521 60 H 2.8499 -0.0466 1.5268 H 1 UNL11 0.1465 61 H 3.5456 -0.5670 -1.4620 H 1 UNL11 0.1449 62 H 3.8320 2.3851 1.2055 H 1 UNL11 0.1450 63 H 3.3079 3.3312 -0.1876 H 1 UNL11 0.1407 64 H -3.6551 -1.7363 2.8803 H 1 UNL11 0.1172 65 H -5.1812 -0.9292 3.3440 H 1 UNL11 0.1420 66 H -5.2283 -2.3688 2.3119 H 1 UNL11 0.1433 67 H -1.0172 -4.0101 -0.2894 H 1 UNL11 0.1453 68 H -1.3803 -4.4444 -1.9652 H 1 UNL11 0.1434 69 H -2.4267 -5.0066 -0.6608 H 1 UNL11 0.1415 70 H 4.4233 1.6940 -1.7544 H 1 UNL11 0.1331 71 H 5.3480 0.3793 0.8877 H 1 UNL11 0.1465 72 H 5.9133 -0.0812 -0.7280 H 1 UNL11 0.1522 73 H 1.0684 -0.8518 -0.8737 H 1 UNL11 0.1385 74 H 0.5289 -0.6266 0.7962 H 1 UNL11 0.1379 75 H 1.8986 -2.5417 1.5798 H 1 UNL11 0.1543 76 H 0.8555 -3.0631 0.2525 H 1 UNL11 0.1439 77 H 3.2298 -3.9142 -0.0264 H 1 UNL11 0.1668 78 H 2.7545 -2.8562 -1.3891 H 1 UNL11 0.1371 79 H 6.7894 2.2720 -1.1148 H 1 UNL11 0.1452 80 H 5.7245 3.6652 -0.9115 H 1 UNL11 0.1437 81 H 6.2596 2.7510 0.5015 H 1 UNL11 0.1461 82 H 5.7335 -1.6089 1.2876 H 1 UNL11 0.1271 @BOND 1 35 6 1 2 42 12 1 3 45 13 1 4 43 12 1 5 12 6 1 6 12 10 1 7 6 13 1 8 6 5 1 9 68 26 1 10 52 17 1 11 54 3 1 12 13 17 1 13 13 44 1 14 70 27 1 15 40 11 1 16 61 23 1 17 78 31 1 18 17 26 1 19 17 15 1 20 3 10 1 21 3 18 1 22 79 32 1 23 57 20 1 24 26 69 1 25 26 67 1 26 80 32 1 27 73 29 1 28 11 41 1 29 11 5 1 30 11 7 1 31 10 39 1 32 10 8 1 33 72 28 1 34 5 34 1 35 5 9 1 36 27 32 1 37 27 28 1 38 27 24 1 39 37 8 1 40 32 81 1 41 53 18 1 42 38 9 1 43 23 28 1 44 23 4 1 45 23 22 1 46 31 77 1 47 31 4 1 48 31 30 1 49 63 24 1 50 28 71 1 51 4 33 am 52 20 24 1 53 20 22 1 54 20 21 1 55 18 21 1 56 18 19 1 57 8 7 1 58 8 16 1 59 9 15 1 60 9 2 1 61 24 62 1 62 29 22 1 63 29 30 1 64 29 74 1 65 15 49 1 66 15 48 1 67 76 30 1 68 56 19 1 69 7 36 1 70 7 14 1 71 22 60 1 72 30 75 1 73 21 59 1 74 21 58 1 75 19 16 1 76 19 55 1 77 33 82 1 78 33 1 2 79 16 50 1 80 16 51 1 81 2 14 1 82 2 25 1 83 14 47 1 84 14 46 1 85 66 25 1 86 25 64 1 87 25 65 1