@MOLECULE (1r,2r,6r,7s,8s,10r,13r)-6-(hydroxymethyl)-2,6,13-trimethyl-12-oxotetracyclo[11.2.1.0~1,10~.0~2,7~]hexadec-8-yl benzoate 67 71 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4155 -0.1444 0.5882 O.3 1 UNL1111111111 -0.4297 2 O 4.1109 -3.3775 0.1239 O.2 1 UNL1111111111 -0.4681 3 O -2.9033 3.5892 -0.4411 O.3 1 UNL1111111111 -0.5545 4 O -2.3908 -1.1226 2.3624 O.2 1 UNL1111111111 -0.5126 5 C 2.0434 0.1217 -0.1054 C.3 1 UNL1111111111 0.0262 6 C 0.9426 1.1249 -0.5869 C.3 1 UNL1111111111 0.0801 7 C 1.3967 -1.0535 0.6797 C.3 1 UNL1111111111 -0.0929 8 C 0.1888 1.6323 0.6756 C.3 1 UNL1111111111 -0.1805 9 C 2.8185 -0.5114 -1.2886 C.3 1 UNL1111111111 -0.3036 10 C 4.0607 -1.0931 -0.5885 C.3 1 UNL1111111111 -0.0218 11 C 3.1687 0.7688 0.7508 C.3 1 UNL1111111111 -0.2960 12 C -0.7716 2.8363 0.4827 C.3 1 UNL1111111111 0.0358 13 C -0.4608 0.4788 1.4602 C.3 1 UNL1111111111 0.1321 14 C 0.5805 -0.5603 1.8805 C.3 1 UNL1111111111 -0.3381 15 C 1.5933 2.3391 -1.2933 C.3 1 UNL1111111111 -0.2989 16 C 4.4724 0.0194 0.4034 C.3 1 UNL1111111111 -0.2760 17 C 2.4401 -2.0726 1.1747 C.3 1 UNL1111111111 -0.3998 18 C 0.0494 0.4176 -1.6163 C.3 1 UNL1111111111 -0.4577 19 C 3.5848 -2.2979 0.2163 C.2 1 UNL1111111111 0.4661 20 C -0.0738 3.9476 -0.3285 C.3 1 UNL1111111111 -0.2858 21 C 0.5659 3.4254 -1.6144 C.3 1 UNL1111111111 -0.2627 22 C 5.1694 -1.4793 -1.5489 C.3 1 UNL1111111111 -0.4499 23 C -2.0996 2.4520 -0.1962 C.3 1 UNL1111111111 -0.0119 24 C -1.1061 3.4259 1.8727 C.3 1 UNL1111111111 -0.4774 25 C -2.3317 -0.9593 1.1681 C.2 1 UNL1111111111 0.6004 26 C -3.1976 -1.5880 0.1541 C.ar 1 UNL1111111111 -0.1443 27 C -3.9131 -2.7289 0.5259 C.ar 1 UNL1111111111 -0.0799 28 C -3.3120 -1.0665 -1.1345 C.ar 1 UNL1111111111 -0.0792 29 C -4.7414 -3.3536 -0.4027 C.ar 1 UNL1111111111 -0.1761 30 C -4.1441 -1.6942 -2.0586 C.ar 1 UNL1111111111 -0.1724 31 C -4.8557 -2.8363 -1.6930 C.ar 1 UNL1111111111 -0.1032 32 H 0.6999 -1.5847 -0.0191 H 1 UNL1111111111 0.1516 33 H 0.9999 2.0287 1.3540 H 1 UNL1111111111 0.1527 34 H 3.1090 0.2419 -2.0372 H 1 UNL1111111111 0.1484 35 H 2.2378 -1.2755 -1.8242 H 1 UNL1111111111 0.1481 36 H 2.9444 0.7031 1.8257 H 1 UNL1111111111 0.1384 37 H 3.2771 1.8438 0.5338 H 1 UNL1111111111 0.1393 38 H -1.0137 0.8587 2.3517 H 1 UNL1111111111 0.1400 39 H 0.0733 -1.4178 2.3710 H 1 UNL1111111111 0.1692 40 H 1.2375 -0.1276 2.6583 H 1 UNL1111111111 0.1472 41 H 2.0942 2.0104 -2.2223 H 1 UNL1111111111 0.1375 42 H 2.3932 2.7742 -0.6633 H 1 UNL1111111111 0.1368 43 H 5.2045 0.6980 -0.0642 H 1 UNL1111111111 0.1437 44 H 4.9660 -0.3886 1.2976 H 1 UNL1111111111 0.1389 45 H 1.9422 -3.0399 1.3935 H 1 UNL1111111111 0.1722 46 H 2.8761 -1.7480 2.1430 H 1 UNL1111111111 0.1700 47 H 0.5926 0.2170 -2.5458 H 1 UNL1111111111 0.1425 48 H -0.3339 -0.5425 -1.2500 H 1 UNL1111111111 0.1616 49 H -0.8196 1.0301 -1.8830 H 1 UNL1111111111 0.1489 50 H 0.6957 4.4396 0.2947 H 1 UNL1111111111 0.1329 51 H -0.8143 4.7359 -0.5784 H 1 UNL1111111111 0.1532 52 H 1.0535 4.2578 -2.1562 H 1 UNL1111111111 0.1306 53 H -0.2100 3.0414 -2.3030 H 1 UNL1111111111 0.1451 54 H 6.0383 -1.8833 -1.0112 H 1 UNL1111111111 0.1593 55 H 4.8411 -2.2686 -2.2390 H 1 UNL1111111111 0.1594 56 H 5.5084 -0.6285 -2.1483 H 1 UNL1111111111 0.1447 57 H -2.6834 1.7317 0.4016 H 1 UNL1111111111 0.1235 58 H -1.9443 2.0499 -1.2163 H 1 UNL1111111111 0.1447 59 H -1.7508 2.7603 2.4565 H 1 UNL1111111111 0.1501 60 H -0.2016 3.6110 2.4613 H 1 UNL1111111111 0.1476 61 H -1.6241 4.3870 1.7814 H 1 UNL1111111111 0.1453 62 H -3.1531 4.0265 0.3951 H 1 UNL1111111111 0.3086 63 H -3.8219 -3.1210 1.5419 H 1 UNL1111111111 0.1704 64 H -2.7560 -0.1703 -1.4173 H 1 UNL1111111111 0.1689 65 H -5.3006 -4.2437 -0.1207 H 1 UNL1111111111 0.1558 66 H -4.2392 -1.2916 -3.0652 H 1 UNL1111111111 0.1562 67 H -5.5056 -3.3267 -2.4171 H 1 UNL1111111111 0.1485 @BOND 1 1 13 1 2 1 25 1 3 2 19 2 4 3 23 1 5 3 62 1 6 4 25 2 7 5 6 1 8 5 7 1 9 5 9 1 10 5 11 1 11 6 8 1 12 6 15 1 13 6 18 1 14 7 14 1 15 7 17 1 16 7 32 1 17 8 12 1 18 8 13 1 19 8 33 1 20 9 10 1 21 9 34 1 22 9 35 1 23 10 16 1 24 10 19 1 25 10 22 1 26 11 16 1 27 11 36 1 28 11 37 1 29 12 20 1 30 12 23 1 31 12 24 1 32 13 14 1 33 13 38 1 34 14 39 1 35 14 40 1 36 15 21 1 37 15 41 1 38 15 42 1 39 16 43 1 40 16 44 1 41 17 19 1 42 17 45 1 43 17 46 1 44 18 47 1 45 18 48 1 46 18 49 1 47 20 21 1 48 20 50 1 49 20 51 1 50 21 52 1 51 21 53 1 52 22 54 1 53 22 55 1 54 22 56 1 55 23 57 1 56 23 58 1 57 24 59 1 58 24 60 1 59 24 61 1 60 25 26 1 61 26 27 ar 62 26 28 ar 63 27 29 ar 64 27 63 1 65 28 30 ar 66 28 64 1 67 29 31 ar 68 29 65 1 69 30 31 ar 70 30 66 1 71 31 67 1