@MOLECULE (1r,2r,4as,8s,8as)-8-[(2r,5s)-5-chloro-2,6,6-trimethyltetrahydro-2h-pyran-2-yl]-1-isocyano-2-methyl-5-methylenedecahydro-2-naphthalenol 57 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 5.2328 -0.1427 0.1221 Cl 1 UNL1 -0.1991 2 O 1.2604 -0.1897 0.1092 O.3 1 UNL1 -0.4710 3 O -2.4056 -1.8921 -1.8294 O.3 1 UNL1 -0.5654 4 N -1.0082 -1.3909 1.5047 N.1 1 UNL1 -0.5249 5 C -1.5943 0.3047 -0.1886 C.3 1 UNL1 -0.1290 6 C -0.4997 1.2841 0.2945 C.3 1 UNL1 -0.1629 7 C -2.9751 0.6127 0.4497 C.3 1 UNL1 -0.1371 8 C 0.8784 1.0672 -0.4230 C.3 1 UNL1 0.2953 9 C -1.2107 -1.1714 0.1141 C.3 1 UNL1 0.0468 10 C -0.9644 2.7365 0.0974 C.3 1 UNL1 -0.2686 11 C -2.3186 -2.1362 -0.4362 C.3 1 UNL1 0.3002 12 C -4.0359 -0.3219 -0.1568 C.3 1 UNL1 -0.2692 13 C -3.7047 -1.7903 0.1141 C.3 1 UNL1 -0.3008 14 C -3.3239 2.0620 0.2610 C.2 1 UNL1 0.0531 15 C -2.2885 2.9856 0.8291 C.3 1 UNL1 -0.2950 16 C 1.8888 2.1551 0.0017 C.3 1 UNL1 -0.3296 17 C 2.5802 -0.6892 -0.0085 C.3 1 UNL1 0.3060 18 C 0.7376 1.0023 -1.9436 C.3 1 UNL1 -0.4979 19 C 3.3310 1.7164 -0.2610 C.3 1 UNL1 -0.2916 20 C 3.5630 0.4014 0.4580 C.3 1 UNL1 -0.0664 21 C -1.9509 -3.6003 -0.1940 C.3 1 UNL1 -0.5147 22 C -4.4196 2.5287 -0.3394 C.2 1 UNL1 -0.3851 23 C 2.8526 -1.2024 -1.4217 C.3 1 UNL1 -0.4920 24 C 2.5595 -1.8555 0.9926 C.3 1 UNL1 -0.4813 25 C -0.7867 -1.5151 2.6523 C.1 1 UNL1 0.2348 26 H -1.7073 0.3997 -1.2978 H 1 UNL1 0.1674 27 H -0.3298 1.1029 1.3851 H 1 UNL1 0.1592 28 H -2.9126 0.4136 1.5509 H 1 UNL1 0.1531 29 H -0.2510 -1.4160 -0.4302 H 1 UNL1 0.1716 30 H -1.0901 2.9558 -0.9806 H 1 UNL1 0.1474 31 H -0.2083 3.4491 0.4741 H 1 UNL1 0.1380 32 H -4.1022 -0.1549 -1.2523 H 1 UNL1 0.1628 33 H -5.0321 -0.0825 0.2598 H 1 UNL1 0.1398 34 H -3.7385 -2.0026 1.1990 H 1 UNL1 0.1486 35 H -4.4662 -2.4391 -0.3615 H 1 UNL1 0.1549 36 H -2.5844 4.0475 0.7290 H 1 UNL1 0.1464 37 H -2.1706 2.8113 1.9175 H 1 UNL1 0.1497 38 H 1.7623 2.3767 1.0799 H 1 UNL1 0.1530 39 H 1.6802 3.0972 -0.5388 H 1 UNL1 0.1539 40 H 0.0889 1.8030 -2.3185 H 1 UNL1 0.1587 41 H 1.7021 1.0989 -2.4521 H 1 UNL1 0.1549 42 H 0.2975 0.0481 -2.2580 H 1 UNL1 0.1597 43 H 3.5214 1.6246 -1.3491 H 1 UNL1 0.1569 44 H 4.0369 2.4948 0.0934 H 1 UNL1 0.1544 45 H 3.5170 0.5264 1.5614 H 1 UNL1 0.1611 46 H -0.9454 -3.8380 -0.5558 H 1 UNL1 0.1507 47 H -1.9750 -3.8464 0.8747 H 1 UNL1 0.1663 48 H -2.6573 -4.2679 -0.7031 H 1 UNL1 0.1639 49 H -1.6724 -2.3128 -2.3139 H 1 UNL1 0.3136 50 H -5.1873 1.9148 -0.7775 H 1 UNL1 0.1506 51 H -4.6352 3.5791 -0.4442 H 1 UNL1 0.1445 52 H 1.9541 -1.6730 -1.8383 H 1 UNL1 0.1576 53 H 3.1592 -0.4070 -2.1084 H 1 UNL1 0.1551 54 H 3.6504 -1.9564 -1.4273 H 1 UNL1 0.1645 55 H 1.8891 -2.6533 0.6527 H 1 UNL1 0.1591 56 H 3.5566 -2.2854 1.1300 H 1 UNL1 0.1620 57 H 2.1858 -1.5290 1.9728 H 1 UNL1 0.1662 @BOND 1 41 18 1 2 40 18 1 3 49 3 1 4 42 18 1 5 53 23 1 6 18 8 1 7 52 23 1 8 3 11 1 9 54 23 1 10 23 17 1 11 43 19 1 12 26 5 1 13 32 12 1 14 30 10 1 15 50 22 1 16 48 21 1 17 46 21 1 18 39 16 1 19 51 22 1 20 11 21 1 21 11 13 1 22 11 9 1 23 29 9 1 24 8 16 1 25 8 2 1 26 8 6 1 27 35 13 1 28 22 14 2 29 19 16 1 30 19 44 1 31 19 20 1 32 21 47 1 33 5 9 1 34 5 6 1 35 5 7 1 36 12 13 1 37 12 33 1 38 12 7 1 39 17 2 1 40 17 20 1 41 17 24 1 42 16 38 1 43 10 6 1 44 10 31 1 45 10 15 1 46 13 34 1 47 9 4 1 48 1 20 1 49 14 7 1 50 14 15 1 51 6 27 1 52 7 28 1 53 20 45 1 54 55 24 1 55 36 15 1 56 15 37 1 57 24 56 1 58 24 57 1 59 4 25 3