@MOLECULE polygalolide a 44 48 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.6623 -1.0344 -1.2005 O.3 1 UNL111111111 -0.3685 2 O -0.0648 0.9381 0.3266 O.3 1 UNL111111111 -0.3624 3 O -3.6615 1.8608 -1.4170 O.3 1 UNL111111111 -0.3780 4 O -5.0113 1.8779 0.3493 O.2 1 UNL111111111 -0.4302 5 O -1.4179 -3.2408 1.1546 O.2 1 UNL111111111 -0.4371 6 O 4.4183 0.9526 1.5103 O.3 1 UNL111111111 -0.3000 7 O 5.5080 0.9044 -1.1460 O.3 1 UNL111111111 -0.4748 8 C -2.8975 0.6179 0.4737 C.3 1 UNL111111111 -0.0851 9 C -2.0791 0.2016 -0.7894 C.3 1 UNL111111111 0.1310 10 C -3.4369 -0.7180 1.0107 C.3 1 UNL111111111 -0.3081 11 C -0.5905 -0.0613 -0.5178 C.3 1 UNL111111111 0.0845 12 C -2.8881 -1.7541 0.0058 C.3 1 UNL111111111 0.0125 13 C -2.1249 1.4651 1.4765 C.3 1 UNL111111111 -0.3234 14 C -2.4449 1.2373 -1.8488 C.3 1 UNL111111111 -0.0686 15 C -3.9903 1.4898 -0.1366 C.2 1 UNL111111111 0.5696 16 C -0.3598 -1.4386 0.0542 C.2 1 UNL111111111 -0.2123 17 C -0.6740 0.9995 1.6031 C.3 1 UNL111111111 -0.0418 18 C -1.5226 -2.2506 0.4747 C.2 1 UNL111111111 0.4250 19 C 0.8747 -1.9380 0.2138 C.2 1 UNL111111111 -0.0272 20 C 2.0925 -1.2126 -0.1610 C.ar 1 UNL111111111 -0.0290 21 C 2.7459 -0.4509 0.8073 C.ar 1 UNL111111111 -0.1940 22 C 2.5812 -1.2840 -1.4648 C.ar 1 UNL111111111 -0.1578 23 C 3.8984 0.2624 0.4662 C.ar 1 UNL111111111 0.1753 24 C 3.7319 -0.5788 -1.8129 C.ar 1 UNL111111111 -0.2312 25 C 4.3829 0.1914 -0.8537 C.ar 1 UNL111111111 0.1509 26 C 5.5578 1.7671 1.2651 C.3 1 UNL111111111 -0.1911 27 H -4.5425 -0.7316 1.0406 H 1 UNL111111111 0.1765 28 H -3.1079 -0.9229 2.0433 H 1 UNL111111111 0.1679 29 H 0.0192 0.0877 -1.4449 H 1 UNL111111111 0.1680 30 H -3.5838 -2.5704 -0.2590 H 1 UNL111111111 0.1763 31 H -2.6254 1.4509 2.4649 H 1 UNL111111111 0.1653 32 H -2.1318 2.5323 1.1624 H 1 UNL111111111 0.1671 33 H -1.6967 2.0422 -1.9501 H 1 UNL111111111 0.1582 34 H -2.6818 0.7913 -2.8320 H 1 UNL111111111 0.1699 35 H -0.0404 1.7448 2.1217 H 1 UNL111111111 0.1510 36 H -0.5862 0.0268 2.1164 H 1 UNL111111111 0.1300 37 H 1.0391 -2.9316 0.6549 H 1 UNL111111111 0.1808 38 H 2.3625 -0.3886 1.8252 H 1 UNL111111111 0.1785 39 H 2.0674 -1.8872 -2.2106 H 1 UNL111111111 0.1628 40 H 4.1161 -0.6307 -2.8282 H 1 UNL111111111 0.1595 41 H 5.7700 0.7936 -2.0927 H 1 UNL111111111 0.3266 42 H 5.3374 2.5342 0.5156 H 1 UNL111111111 0.1435 43 H 6.4141 1.1560 0.9627 H 1 UNL111111111 0.1440 44 H 5.7291 2.2208 2.2501 H 1 UNL111111111 0.1458 @BOND 1 34 14 1 2 40 24 1 3 39 22 1 4 41 7 1 5 33 14 1 6 14 3 1 7 14 9 1 8 24 22 ar 9 24 25 ar 10 22 20 ar 11 29 11 1 12 3 15 1 13 1 9 1 14 1 12 1 15 7 25 1 16 25 23 ar 17 9 11 1 18 9 8 1 19 11 16 1 20 11 2 1 21 30 12 1 22 20 19 1 23 20 21 ar 24 15 4 2 25 15 8 1 26 12 18 1 27 12 10 1 28 16 19 2 29 16 18 1 30 19 37 1 31 2 17 1 32 23 21 ar 33 23 6 1 34 8 10 1 35 8 13 1 36 18 5 2 37 42 26 1 38 21 38 1 39 43 26 1 40 10 27 1 41 10 28 1 42 32 13 1 43 26 6 1 44 26 44 1 45 13 17 1 46 13 31 1 47 17 36 1 48 17 35 1