@MOLECULE (1alpha,4aalpha,4bbeta,10beta)-7-hydroxy-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8180 0.4155 0.4048 O.3 1 UNL11111111111 -0.5479 2 O 0.5003 -3.0949 -0.2801 O.3 1 UNL11111111111 -0.5573 3 O -0.6110 3.4081 -0.6796 O.3 1 UNL11111111111 -0.5497 4 O 1.0821 -1.4214 -1.6125 O.2 1 UNL11111111111 -0.5249 5 O 0.1828 3.1070 1.3773 O.2 1 UNL11111111111 -0.5320 6 O 2.3872 0.8233 -2.0821 O.3 1 UNL11111111111 -0.5591 7 O 3.7177 -0.8306 -1.3980 O.2 1 UNL11111111111 -0.5188 8 C -1.2086 0.4215 0.0080 C.3 1 UNL11111111111 0.0666 9 C -0.8427 -0.7037 1.0373 C.3 1 UNL11111111111 -0.1429 10 C 0.6498 -0.9802 0.7656 C.3 1 UNL11111111111 -0.0439 11 C 1.1664 0.4889 0.6566 C.3 1 UNL11111111111 -0.1139 12 C 0.0995 1.2279 -0.1803 C.3 1 UNL11111111111 -0.2340 13 C -2.4621 1.0993 0.6000 C.3 1 UNL11111111111 -0.3694 14 C -3.4949 -0.0309 0.3112 C.3 1 UNL11111111111 0.2972 15 C -1.7445 -0.0970 -1.3582 C.3 1 UNL11111111111 -0.3088 16 C -1.8540 -1.8443 0.9978 C.3 1 UNL11111111111 -0.2631 17 C 2.6450 0.6001 0.2679 C.3 1 UNL11111111111 -0.0063 18 C 1.4381 -1.6733 1.8786 C.3 1 UNL11111111111 -0.2761 19 C -3.2621 -1.2581 1.2224 C.3 1 UNL11111111111 -0.3308 20 C -3.1995 -0.3941 -1.1300 C.2 1 UNL11111111111 0.0063 21 C 3.4521 -0.2036 1.3200 C.3 1 UNL11111111111 -0.2757 22 C 2.9327 -1.6332 1.5250 C.3 1 UNL11111111111 -0.2751 23 C 0.7900 -1.7855 -0.5021 C.2 1 UNL11111111111 0.6457 24 C -0.0747 2.6357 0.2989 C.2 1 UNL11111111111 0.6495 25 C 3.0902 2.0680 0.3004 C.3 1 UNL11111111111 -0.4595 26 C 2.9728 0.0708 -1.1148 C.2 1 UNL11111111111 0.6458 27 C -4.0707 -0.8698 -2.0109 C.2 1 UNL11111111111 -0.3391 28 H -0.8998 -0.2600 2.0688 H 1 UNL11111111111 0.1559 29 H 1.1099 0.9155 1.7053 H 1 UNL11111111111 0.1794 30 H 0.3995 1.2317 -1.2655 H 1 UNL11111111111 0.2230 31 H -2.7392 2.0218 0.0617 H 1 UNL11111111111 0.1709 32 H -2.3771 1.3595 1.6593 H 1 UNL11111111111 0.1490 33 H -1.1948 -0.9723 -1.7372 H 1 UNL11111111111 0.1669 34 H -1.6292 0.6867 -2.1346 H 1 UNL11111111111 0.1714 35 H -1.6202 -2.6007 1.7685 H 1 UNL11111111111 0.1449 36 H -1.8154 -2.3902 0.0355 H 1 UNL11111111111 0.1591 37 H 1.1001 -2.7206 2.0075 H 1 UNL11111111111 0.1611 38 H 1.2565 -1.1791 2.8509 H 1 UNL11111111111 0.1471 39 H -4.0323 -2.0208 1.0026 H 1 UNL11111111111 0.1577 40 H -3.4006 -0.9774 2.2794 H 1 UNL11111111111 0.1394 41 H 3.4342 0.3423 2.2826 H 1 UNL11111111111 0.1459 42 H 4.5169 -0.2455 1.0127 H 1 UNL11111111111 0.1571 43 H 3.5191 -2.1289 2.3213 H 1 UNL11111111111 0.1415 44 H 3.1242 -2.2306 0.6080 H 1 UNL11111111111 0.1626 45 H 4.1731 2.1674 0.1623 H 1 UNL11111111111 0.1556 46 H 2.6078 2.6533 -0.4955 H 1 UNL11111111111 0.1694 47 H 2.8321 2.5480 1.2539 H 1 UNL11111111111 0.1653 48 H -5.0188 0.7355 1.3057 H 1 UNL11111111111 0.3161 49 H -5.1117 -1.0353 -1.7709 H 1 UNL11111111111 0.1617 50 H -3.8232 -1.1136 -3.0306 H 1 UNL11111111111 0.1485 51 H 0.6055 -3.6590 -1.0870 H 1 UNL11111111111 0.3557 52 H -0.7490 4.3495 -0.4116 H 1 UNL11111111111 0.3518 53 H 2.4618 0.4136 -2.9813 H 1 UNL11111111111 0.3608 @BOND 1 1 14 1 2 1 48 1 3 2 23 1 4 2 51 1 5 3 24 1 6 3 52 1 7 4 23 2 8 5 24 2 9 6 26 1 10 6 53 1 11 7 26 2 12 8 9 1 13 8 12 1 14 8 13 1 15 8 15 1 16 9 10 1 17 9 16 1 18 9 28 1 19 10 11 1 20 10 18 1 21 10 23 1 22 11 12 1 23 11 17 1 24 11 29 1 25 12 24 1 26 12 30 1 27 13 14 1 28 13 31 1 29 13 32 1 30 14 19 1 31 14 20 1 32 15 20 1 33 15 33 1 34 15 34 1 35 16 19 1 36 16 35 1 37 16 36 1 38 17 21 1 39 17 25 1 40 17 26 1 41 18 22 1 42 18 37 1 43 18 38 1 44 19 39 1 45 19 40 1 46 20 27 2 47 21 22 1 48 21 41 1 49 21 42 1 50 22 43 1 51 22 44 1 52 25 45 1 53 25 46 1 54 25 47 1 55 27 49 1 56 27 50 1