@MOLECULE 8-hydroxysantonin 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1148 1.6624 -0.5453 O.3 1 UNL1111111111 -0.4001 2 O 1.9673 -2.8185 0.8090 O.3 1 UNL1111111111 -0.5458 3 O 3.1500 2.5302 -0.2877 O.2 1 UNL1111111111 -0.4189 4 O -3.8859 1.6805 0.8107 O.2 1 UNL1111111111 -0.4240 5 C 1.4706 -0.5145 0.2507 C.3 1 UNL1111111111 -0.2356 6 C 0.5686 0.3439 -0.6734 C.3 1 UNL1111111111 0.0939 7 C -1.2731 -1.2751 -0.4738 C.3 1 UNL1111111111 0.0579 8 C 1.1860 -1.9890 -0.0166 C.3 1 UNL1111111111 0.1643 9 C -0.3114 -2.2379 0.2719 C.3 1 UNL1111111111 -0.3537 10 C -0.8596 0.1779 -0.2927 C.2 1 UNL1111111111 -0.0796 11 C 2.8506 0.0764 -0.0766 C.3 1 UNL1111111111 -0.1843 12 C 2.4781 1.5443 -0.2983 C.2 1 UNL1111111111 0.5667 13 C -1.2970 -1.5949 -1.9811 C.3 1 UNL1111111111 -0.4505 14 C -2.6598 -1.5501 0.0464 C.2 1 UNL1111111111 -0.0940 15 C -1.6892 1.1560 0.0990 C.2 1 UNL1111111111 -0.0592 16 C 3.8798 -0.1154 1.0221 C.3 1 UNL1111111111 -0.4348 17 C -3.4800 -0.5942 0.4856 C.2 1 UNL1111111111 -0.2889 18 C -3.0889 0.8284 0.4940 C.2 1 UNL1111111111 0.4476 19 C -1.3169 2.5895 0.1839 C.3 1 UNL1111111111 -0.4380 20 H 1.2288 -0.2929 1.3204 H 1 UNL1111111111 0.1696 21 H 0.7042 0.0942 -1.7556 H 1 UNL1111111111 0.1470 22 H 1.4938 -2.3197 -1.0328 H 1 UNL1111111111 0.1482 23 H -0.5557 -3.2883 0.0238 H 1 UNL1111111111 0.1623 24 H -0.4856 -2.1480 1.3627 H 1 UNL1111111111 0.1561 25 H 3.2471 -0.3433 -1.0341 H 1 UNL1111111111 0.1712 26 H -1.9264 -0.8778 -2.5278 H 1 UNL1111111111 0.1638 27 H -0.2988 -1.5619 -2.4286 H 1 UNL1111111111 0.1502 28 H -1.6969 -2.5965 -2.1784 H 1 UNL1111111111 0.1541 29 H -2.9596 -2.5996 0.0266 H 1 UNL1111111111 0.1533 30 H 4.8438 0.3483 0.7640 H 1 UNL1111111111 0.1639 31 H 3.5631 0.3213 1.9755 H 1 UNL1111111111 0.1533 32 H 4.0676 -1.1879 1.1885 H 1 UNL1111111111 0.1644 33 H 1.8444 -2.6071 1.7565 H 1 UNL1111111111 0.3162 34 H -4.4836 -0.7985 0.8585 H 1 UNL1111111111 0.1799 35 H -2.1827 3.2443 0.3836 H 1 UNL1111111111 0.1769 36 H -0.8522 2.9512 -0.7482 H 1 UNL1111111111 0.1746 37 H -0.5821 2.7698 0.9868 H 1 UNL1111111111 0.1720 @BOND 1 1 6 1 2 1 12 1 3 2 8 1 4 2 33 1 5 3 12 2 6 4 18 2 7 5 6 1 8 5 8 1 9 5 11 1 10 5 20 1 11 6 10 1 12 6 21 1 13 7 9 1 14 7 10 1 15 7 13 1 16 7 14 1 17 8 9 1 18 8 22 1 19 9 23 1 20 9 24 1 21 10 15 2 22 11 12 1 23 11 16 1 24 11 25 1 25 13 26 1 26 13 27 1 27 13 28 1 28 14 17 2 29 14 29 1 30 15 18 1 31 15 19 1 32 16 30 1 33 16 31 1 34 16 32 1 35 17 18 1 36 17 34 1 37 19 35 1 38 19 36 1 39 19 37 1