@MOLECULE galbonolide b 58 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7774 -2.0339 1.2824 O.3 1 UNL1111111111 -0.5607 2 O -0.1514 1.5885 -0.1407 O.3 1 UNL1111111111 -0.4194 3 O -4.8671 -0.8332 -0.0258 O.3 1 UNL1111111111 -0.5443 4 O -1.9104 0.4381 1.5170 O.2 1 UNL1111111111 -0.4336 5 O -1.0962 2.9930 -1.6221 O.2 1 UNL1111111111 -0.5112 6 C -2.5053 -1.3480 0.0807 C.3 1 UNL1111111111 0.1540 7 C -1.3636 -2.0237 -0.6899 C.3 1 UNL1111111111 -0.3336 8 C -2.2082 0.1282 0.3925 C.2 1 UNL1111111111 0.4479 9 C -0.0169 -2.1306 -0.0240 C.2 1 UNL1111111111 0.0375 10 C 2.4616 -2.4872 -0.3066 C.3 1 UNL1111111111 -0.0656 11 C -2.3774 1.1487 -0.7145 C.3 1 UNL1111111111 -0.2647 12 C -3.8350 -1.5128 -0.6999 C.3 1 UNL1111111111 -0.0267 13 C 1.0837 -2.1473 -0.7912 C.2 1 UNL1111111111 -0.2222 14 C 3.5576 -1.6988 -1.0623 C.3 1 UNL1111111111 -0.3044 15 C 1.1142 2.2775 -0.2295 C.3 1 UNL1111111111 0.1202 16 C -1.1699 2.0401 -0.8898 C.2 1 UNL1111111111 0.6082 17 C -0.0006 -2.3368 1.4497 C.3 1 UNL1111111111 -0.4567 18 C 3.8589 -0.4118 -0.3491 C.2 1 UNL1111111111 0.0627 19 C 2.6704 -3.9981 -0.5132 C.3 1 UNL1111111111 -0.4521 20 C 2.0724 1.2043 0.2282 C.2 1 UNL1111111111 0.0271 21 C -3.5805 2.0263 -0.3650 C.3 1 UNL1111111111 -0.4261 22 C 1.0564 3.5077 0.6794 C.3 1 UNL1111111111 -0.2969 23 C 2.9376 0.6844 -0.6514 C.2 1 UNL1111111111 -0.2255 24 C 1.9265 0.7603 1.6393 C.3 1 UNL1111111111 -0.4494 25 C 2.3920 4.2441 0.6673 C.3 1 UNL1111111111 -0.4322 26 C 4.8911 -0.2783 0.4880 C.2 1 UNL1111111111 -0.3739 27 H -1.2604 -1.5294 -1.6788 H 1 UNL1111111111 0.1547 28 H -1.6825 -3.0739 -0.9088 H 1 UNL1111111111 0.1730 29 H 2.5648 -2.2599 0.7836 H 1 UNL1111111111 0.1455 30 H -2.5541 0.6469 -1.7020 H 1 UNL1111111111 0.1825 31 H -4.1008 -2.5833 -0.7852 H 1 UNL1111111111 0.1372 32 H -3.8148 -1.0512 -1.7010 H 1 UNL1111111111 0.1431 33 H 1.0230 -1.9640 -1.8624 H 1 UNL1111111111 0.1457 34 H 3.2456 -1.5068 -2.1066 H 1 UNL1111111111 0.1493 35 H 4.4745 -2.3160 -1.1430 H 1 UNL1111111111 0.1494 36 H 1.2811 2.5762 -1.2906 H 1 UNL1111111111 0.1442 37 H 0.9843 -2.6379 1.8315 H 1 UNL1111111111 0.1529 38 H -0.7081 -3.1246 1.7530 H 1 UNL1111111111 0.1670 39 H -0.2688 -1.4068 1.9785 H 1 UNL1111111111 0.1662 40 H 3.6357 -4.3259 -0.1144 H 1 UNL1111111111 0.1435 41 H 1.8885 -4.5738 -0.0049 H 1 UNL1111111111 0.1485 42 H 2.6362 -4.2658 -1.5747 H 1 UNL1111111111 0.1448 43 H -3.7196 2.8249 -1.1072 H 1 UNL1111111111 0.1673 44 H -4.5099 1.4359 -0.3334 H 1 UNL1111111111 0.1776 45 H -3.4626 2.5046 0.6173 H 1 UNL1111111111 0.1651 46 H -2.3290 -1.5955 2.0476 H 1 UNL1111111111 0.3469 47 H 0.7774 3.2115 1.7091 H 1 UNL1111111111 0.1562 48 H 0.2428 4.1782 0.3331 H 1 UNL1111111111 0.1577 49 H 2.9909 1.0379 -1.6832 H 1 UNL1111111111 0.1580 50 H 2.3430 1.5006 2.3377 H 1 UNL1111111111 0.1599 51 H 2.4347 -0.1942 1.8350 H 1 UNL1111111111 0.1576 52 H 0.8628 0.6234 1.9028 H 1 UNL1111111111 0.1751 53 H -4.9253 -1.1636 0.9012 H 1 UNL1111111111 0.3349 54 H 2.6448 4.6046 -0.3370 H 1 UNL1111111111 0.1461 55 H 2.3684 5.1160 1.3311 H 1 UNL1111111111 0.1454 56 H 3.2122 3.5967 1.0017 H 1 UNL1111111111 0.1485 57 H 5.5883 -1.0675 0.7106 H 1 UNL1111111111 0.1461 58 H 5.1128 0.6382 1.0103 H 1 UNL1111111111 0.1515 @BOND 1 1 6 1 2 1 46 1 3 2 15 1 4 2 16 1 5 3 12 1 6 3 53 1 7 4 8 2 8 5 16 2 9 6 7 1 10 6 8 1 11 6 12 1 12 7 9 1 13 7 27 1 14 7 28 1 15 8 11 1 16 9 13 2 17 9 17 1 18 10 13 1 19 10 14 1 20 10 19 1 21 10 29 1 22 11 16 1 23 11 21 1 24 11 30 1 25 12 31 1 26 12 32 1 27 13 33 1 28 14 18 1 29 14 34 1 30 14 35 1 31 15 20 1 32 15 22 1 33 15 36 1 34 17 37 1 35 17 38 1 36 17 39 1 37 18 23 1 38 18 26 2 39 19 40 1 40 19 41 1 41 19 42 1 42 20 23 2 43 20 24 1 44 21 43 1 45 21 44 1 46 21 45 1 47 22 25 1 48 22 47 1 49 22 48 1 50 23 49 1 51 24 50 1 52 24 51 1 53 24 52 1 54 25 54 1 55 25 55 1 56 25 56 1 57 26 57 1 58 26 58 1