@MOLECULE 2-cyclohexyl-3,6-dimethoxy-1-methyl-7,8-dihydro-5H-quinoline-2,3,4a,5,6,7,8,8a-octaid-4-one 39 41 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.7502 -2.1079 0.3495 O.3 1 UNL11111111 -0.0014 2 O -5.1953 -0.2061 0.0079 O.3 1 UNL11111111 -0.0041 3 O -1.0174 -2.7862 0.0988 O.2 1 UNL11111111 -0.2992 4 N 0.1931 1.1190 -0.0608 N.4 1 UNL11111111 -0.0787 5 C -1.1742 0.8306 -0.0319 C.3 1 UNL11111111 0.2063 6 C 1.1274 0.0995 0.0226 C.3 1 UNL11111111 -0.0646 7 C -1.6097 -0.5109 0.0249 C.3 1 UNL11111111 0.0040 8 C 0.7456 -1.2123 0.1139 C.3 1 UNL11111111 -0.1851 9 C -0.6509 -1.6297 0.0842 C.2 1 UNL11111111 0.2028 10 C 2.5645 0.4356 0.0217 C.3 1 UNL11111111 0.4482 11 C -2.1374 1.8631 -0.0713 C.3 1 UNL11111111 -0.3342 12 C 0.6264 2.5185 -0.0719 C.3 1 UNL11111111 -0.7625 13 C -2.9725 -0.8086 0.0376 C.3 1 UNL11111111 -0.3472 14 C -3.9021 0.2284 -0.0046 C.3 1 UNL11111111 0.0779 15 C -3.4892 1.5650 -0.0589 C.3 1 UNL11111111 -0.2437 16 C 3.2391 0.5848 -1.1918 C.3 1 UNL11111111 -0.4170 17 C 3.2484 0.5546 1.2328 C.3 1 UNL11111111 -0.3221 18 C 4.6029 0.8659 -1.1900 C.3 1 UNL11111111 -0.1330 19 C 4.6121 0.8382 1.2270 C.3 1 UNL11111111 -0.1669 20 C 5.2877 0.9952 0.0177 C.3 1 UNL11111111 -0.2210 21 C 1.7414 -3.2352 -0.5262 C.3 1 UNL11111111 -0.7960 22 C -6.2080 0.7880 0.0227 C.3 1 UNL11111111 -0.7664 23 H -1.8319 2.9050 -0.1116 H 1 UNL11111111 0.2225 24 H 1.7255 2.6123 -0.1355 H 1 UNL11111111 0.2772 25 H 0.3049 3.0361 0.8511 H 1 UNL11111111 0.2749 26 H 0.2075 3.0452 -0.9496 H 1 UNL11111111 0.2802 27 H -3.3028 -1.8523 0.0813 H 1 UNL11111111 0.2806 28 H -4.2172 2.3715 -0.0915 H 1 UNL11111111 0.2161 29 H 2.7010 0.4711 -2.1316 H 1 UNL11111111 0.2406 30 H 2.7185 0.4095 2.1741 H 1 UNL11111111 0.2254 31 H 5.1351 0.9790 -2.1324 H 1 UNL11111111 0.1857 32 H 5.1512 0.9283 2.1684 H 1 UNL11111111 0.1919 33 H 6.3543 1.2122 0.0158 H 1 UNL11111111 0.1915 34 H 2.6952 -3.7185 -0.2878 H 1 UNL11111111 0.2832 35 H 1.7092 -2.9275 -1.5726 H 1 UNL11111111 0.2532 36 H 0.8980 -3.8954 -0.2845 H 1 UNL11111111 0.2915 37 H -6.1376 1.4097 0.9201 H 1 UNL11111111 0.2482 38 H -7.1242 0.1814 0.0500 H 1 UNL11111111 0.2918 39 H -6.1801 1.3919 -0.8890 H 1 UNL11111111 0.2494 @BOND 1 31 18 1 2 29 16 1 3 35 21 1 4 16 18 1 5 16 10 1 6 18 20 1 7 26 12 1 8 39 22 1 9 21 34 1 10 21 36 1 11 21 1 1 12 24 12 1 13 23 11 1 14 28 15 1 15 12 4 1 16 12 25 1 17 11 15 1 18 11 5 1 19 4 5 1 20 4 6 1 21 15 14 1 22 5 7 1 23 14 2 1 24 14 13 1 25 2 22 1 26 33 20 1 27 20 19 1 28 10 6 1 29 10 17 1 30 6 8 1 31 22 38 1 32 22 37 1 33 7 13 1 34 7 9 1 35 13 27 1 36 9 3 2 37 9 8 1 38 8 1 1 39 19 17 1 40 19 32 1 41 17 30 1