@MOLECULE 2-heptyl-1-hydroxy-5,6,7,8-tetrahydro-3H-quinoline-2,3,4a,5,6,7,8,8a-octaid-4-one 40 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.8234 -1.8722 0.8855 O.3 1 UNL1 -0.3030 2 O 3.0375 2.8513 -0.3136 O.2 1 UNL1 -0.4609 3 N 1.2226 -0.7181 0.1844 N.ar 1 UNL1 -0.2089 4 C -3.2297 0.1507 0.6996 C.3 1 UNL1 -0.2732 5 C -1.8066 0.2168 0.1353 C.3 1 UNL1 -0.2539 6 C -4.2459 0.0119 -0.4412 C.3 1 UNL1 -0.2743 7 C -0.7726 0.2950 1.2694 C.3 1 UNL1 -0.2991 8 C -5.6784 -0.0300 0.1043 C.3 1 UNL1 -0.2749 9 C 0.5987 0.4464 0.6859 C.ar 1 UNL1 0.2420 10 C -6.6875 -0.2039 -1.0389 C.3 1 UNL1 -0.2514 11 C 2.6247 -0.7198 -0.0250 C.ar 1 UNL1 0.1906 12 C 1.1816 1.6511 0.4882 C.ar 1 UNL1 -0.4155 13 C 3.2703 0.5106 -0.2324 C.ar 1 UNL1 -0.2231 14 C 2.5344 1.7812 -0.0493 C.ar 1 UNL1 0.4904 15 C -8.1185 -0.2430 -0.5032 C.3 1 UNL1 -0.4395 16 C 3.3325 -1.9248 -0.1501 C.ar 1 UNL1 -0.2248 17 C 4.6188 0.5255 -0.5956 C.ar 1 UNL1 -0.0403 18 C 4.6745 -1.8860 -0.5047 C.ar 1 UNL1 -0.0754 19 C 5.3195 -0.6664 -0.7324 C.ar 1 UNL1 -0.2091 20 H -3.4483 1.0590 1.2923 H 1 UNL1 0.1401 21 H -3.3284 -0.6990 1.4002 H 1 UNL1 0.1368 22 H -1.6061 -0.6649 -0.5021 H 1 UNL1 0.1397 23 H -1.7032 1.0967 -0.5309 H 1 UNL1 0.1510 24 H -4.1376 0.8546 -1.1500 H 1 UNL1 0.1396 25 H -4.0377 -0.9040 -1.0254 H 1 UNL1 0.1365 26 H -1.0013 1.1542 1.9359 H 1 UNL1 0.1663 27 H -0.8417 -0.6012 1.9211 H 1 UNL1 0.1685 28 H -5.7863 -0.8563 0.8309 H 1 UNL1 0.1362 29 H -5.8998 0.8971 0.6652 H 1 UNL1 0.1377 30 H -6.4684 -1.1324 -1.5990 H 1 UNL1 0.1335 31 H -6.5797 0.6218 -1.7676 H 1 UNL1 0.1351 32 H 0.6719 2.5837 0.7195 H 1 UNL1 0.1963 33 H -8.3752 0.6839 0.0220 H 1 UNL1 0.1432 34 H -8.8426 -0.3724 -1.3153 H 1 UNL1 0.1417 35 H -8.2615 -1.0708 0.2000 H 1 UNL1 0.1424 36 H 2.8358 -2.8743 0.0342 H 1 UNL1 0.1699 37 H 5.1083 1.4900 -0.7683 H 1 UNL1 0.1777 38 H 5.2321 -2.8176 -0.6066 H 1 UNL1 0.1517 39 H 6.3700 -0.6531 -1.0145 H 1 UNL1 0.1599 40 H 0.2351 -2.3479 0.2229 H 1 UNL1 0.3005 @BOND 1 31 10 1 2 30 10 1 3 34 15 1 4 24 6 1 5 10 15 1 6 10 8 1 7 25 6 1 8 39 19 1 9 37 17 1 10 19 17 ar 11 19 18 ar 12 38 18 1 13 17 13 ar 14 23 5 1 15 18 16 ar 16 15 33 1 17 15 35 1 18 22 5 1 19 6 8 1 20 6 4 1 21 2 14 2 22 13 14 ar 23 13 11 ar 24 16 11 ar 25 16 36 1 26 14 12 ar 27 11 3 ar 28 8 29 1 29 8 28 1 30 5 4 1 31 5 7 1 32 3 9 ar 33 3 1 1 34 40 1 1 35 12 9 ar 36 12 32 1 37 9 7 1 38 4 20 1 39 4 21 1 40 7 27 1 41 7 26 1