@MOLECULE (4s,8r,9r,12s,13s,14s,16r)-14-hydroxy-9-methoxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]nonadecane-2,18-dione 55 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6738 -2.2067 -1.2490 O.3 1 UNL11111111111 -0.3993 2 O 2.3198 0.7306 -1.7506 O.3 1 UNL11111111111 -0.4520 3 O 0.2035 2.7570 0.2893 O.3 1 UNL11111111111 -0.6161 4 O 2.8017 2.1177 0.0210 O.3 1 UNL11111111111 -0.4482 5 O -2.5128 -1.7538 -2.3577 O.2 1 UNL11111111111 -0.4415 6 O -2.2975 -1.5061 1.3995 O.2 1 UNL11111111111 -0.4317 7 C 0.6500 -0.3602 -0.4594 C.3 1 UNL11111111111 -0.0560 8 C -0.5783 0.5931 -0.5365 C.3 1 UNL11111111111 -0.2011 9 C 1.7793 0.0627 0.5136 C.3 1 UNL11111111111 -0.2170 10 C -1.9072 -0.1869 -0.6316 C.3 1 UNL11111111111 -0.1906 11 C 0.1907 -1.7975 -0.1836 C.3 1 UNL11111111111 0.1006 12 C 2.4250 -1.1029 1.3136 C.3 1 UNL11111111111 0.1115 13 C -0.7234 1.7256 0.5190 C.3 1 UNL11111111111 0.1790 14 C 1.3615 -0.3056 -1.8434 C.3 1 UNL11111111111 -0.0363 15 C -2.9680 0.7943 -1.1896 C.3 1 UNL11111111111 -0.2665 16 C 2.7931 0.7786 -0.4183 C.3 1 UNL11111111111 0.3124 17 C 1.2909 -2.8627 -0.1800 C.3 1 UNL11111111111 -0.2919 18 C -3.2746 1.6405 0.0720 C.3 1 UNL11111111111 -0.1028 19 C 2.6021 -2.3395 0.4121 C.3 1 UNL11111111111 -0.2897 20 C -2.0580 2.5151 0.3893 C.3 1 UNL11111111111 -0.3057 21 C -1.7598 -1.4215 -1.4794 C.2 1 UNL11111111111 0.5867 22 C -2.5030 -0.5157 0.7539 C.2 1 UNL11111111111 0.4724 23 C -3.4104 0.5941 1.1426 C.2 1 UNL11111111111 -0.1297 24 C 3.8113 -0.6783 1.8425 C.3 1 UNL11111111111 -0.4781 25 C 1.5650 -1.4243 2.5488 C.3 1 UNL11111111111 -0.4653 26 C -4.1858 0.6002 2.2219 C.2 1 UNL11111111111 -0.2271 27 C 3.4474 3.0214 -0.8636 C.3 1 UNL11111111111 -0.1684 28 H -0.4633 1.1621 -1.5061 H 1 UNL11111111111 0.1855 29 H 1.4043 0.7940 1.2703 H 1 UNL11111111111 0.1771 30 H -0.3792 -1.8662 0.7748 H 1 UNL11111111111 0.1666 31 H -0.5805 1.3375 1.5501 H 1 UNL11111111111 0.1155 32 H 1.8994 -1.2413 -2.0735 H 1 UNL11111111111 0.1387 33 H 0.7181 -0.0433 -2.6901 H 1 UNL11111111111 0.1474 34 H -3.8614 0.2602 -1.5597 H 1 UNL11111111111 0.1664 35 H -2.6024 1.3990 -2.0313 H 1 UNL11111111111 0.1601 36 H 3.8279 0.3931 -0.4516 H 1 UNL11111111111 0.1260 37 H 1.4520 -3.2462 -1.2095 H 1 UNL11111111111 0.1611 38 H 0.9336 -3.7450 0.3890 H 1 UNL11111111111 0.1546 39 H -4.1835 2.2596 -0.0533 H 1 UNL11111111111 0.1497 40 H 3.0986 -3.1453 0.9862 H 1 UNL11111111111 0.1444 41 H 3.3049 -2.0903 -0.4074 H 1 UNL11111111111 0.1403 42 H -1.9252 3.2840 -0.4009 H 1 UNL11111111111 0.1700 43 H -2.2151 3.0842 1.3255 H 1 UNL11111111111 0.1533 44 H 4.1561 -1.3538 2.6343 H 1 UNL11111111111 0.1529 45 H 4.5817 -0.6890 1.0660 H 1 UNL11111111111 0.1430 46 H 3.7839 0.3322 2.2679 H 1 UNL11111111111 0.1577 47 H 1.5940 -0.6064 3.2777 H 1 UNL11111111111 0.1484 48 H 0.5106 -1.5966 2.3058 H 1 UNL11111111111 0.1566 49 H 1.9229 -2.3276 3.0552 H 1 UNL11111111111 0.1501 50 H 1.1244 2.4610 0.1336 H 1 UNL11111111111 0.3604 51 H -4.8506 1.4128 2.4786 H 1 UNL11111111111 0.1494 52 H -4.2121 -0.2188 2.9316 H 1 UNL11111111111 0.1633 53 H 2.7353 3.3322 -1.6338 H 1 UNL11111111111 0.1417 54 H 4.3370 2.5780 -1.3208 H 1 UNL11111111111 0.1282 55 H 3.7218 3.8576 -0.2080 H 1 UNL11111111111 0.1443 @BOND 1 1 11 1 2 1 21 1 3 2 14 1 4 2 16 1 5 3 13 1 6 3 50 1 7 4 16 1 8 4 27 1 9 5 21 2 10 6 22 2 11 7 8 1 12 7 9 1 13 7 11 1 14 7 14 1 15 8 10 1 16 8 13 1 17 8 28 1 18 9 12 1 19 9 16 1 20 9 29 1 21 10 15 1 22 10 21 1 23 10 22 1 24 11 17 1 25 11 30 1 26 12 19 1 27 12 24 1 28 12 25 1 29 13 20 1 30 13 31 1 31 14 32 1 32 14 33 1 33 15 18 1 34 15 34 1 35 15 35 1 36 16 36 1 37 17 19 1 38 17 37 1 39 17 38 1 40 18 20 1 41 18 23 1 42 18 39 1 43 19 40 1 44 19 41 1 45 20 42 1 46 20 43 1 47 22 23 1 48 23 26 2 49 24 44 1 50 24 45 1 51 24 46 1 52 25 47 1 53 25 48 1 54 25 49 1 55 26 51 1 56 26 52 1 57 27 53 1 58 27 54 1 59 27 55 1