@MOLECULE florxenilide a 83 85 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7916 1.7208 1.7503 O.2 1 UNL11 -0.3591 2 O 0.7141 2.9582 -0.1710 O.3 1 UNL11 -0.4936 3 O 3.3427 -1.2878 1.7979 O.3 1 UNL11 -0.4356 4 O -2.7701 1.2223 0.5102 O.3 1 UNL11 -0.5627 5 O -4.3023 -0.7798 -0.3321 O.3 1 UNL11 -0.4451 6 O 5.2513 -1.5002 -0.2898 O.3 1 UNL11 -0.4400 7 O 0.0427 4.7103 1.0747 O.2 1 UNL11 -0.4868 8 O 3.8615 -3.4141 1.2494 O.2 1 UNL11 -0.5388 9 O -5.7081 0.3066 -1.7071 O.2 1 UNL11 -0.4972 10 O 4.2217 -2.2934 -2.1213 O.2 1 UNL11 -0.5477 11 C 1.1151 0.2999 -0.7535 C.3 1 UNL11 -0.0754 12 C -0.2627 0.8123 -0.2583 C.3 1 UNL11 -0.1801 13 C 1.0577 -0.8855 -1.7332 C.3 1 UNL11 -0.2808 14 C 1.9438 0.0501 0.4774 C.2 1 UNL11 -0.2497 15 C -0.0151 2.0392 0.6371 C.3 1 UNL11 0.3305 16 C -1.2796 1.1774 -1.2980 C.2 1 UNL11 0.0202 17 C 0.2024 -2.0992 -1.3092 C.3 1 UNL11 -0.2865 18 C 3.0229 -0.9766 0.4331 C.3 1 UNL11 0.1105 19 C -2.7247 0.9730 -0.8816 C.3 1 UNL11 0.0890 20 C 1.7532 0.7802 1.5890 C.2 1 UNL11 0.1294 21 C -3.2103 -0.4799 -1.2105 C.3 1 UNL11 0.0992 22 C -1.2016 -1.8093 -1.7446 C.2 1 UNL11 0.1009 23 C 4.3103 -0.4170 -0.2262 C.3 1 UNL11 0.1058 24 C -2.1135 -1.4120 -0.8437 C.2 1 UNL11 -0.3040 25 C -0.9859 1.6779 -2.4984 C.2 1 UNL11 -0.3545 26 C -1.4552 -1.8106 -3.2158 C.3 1 UNL11 -0.4721 27 C 4.9805 0.6057 0.6245 C.2 1 UNL11 -0.2738 28 C 0.6949 4.2763 0.1654 C.2 1 UNL11 0.6430 29 C 3.8098 -2.5299 2.0665 C.2 1 UNL11 0.6536 30 C 4.8976 1.9264 0.4167 C.2 1 UNL11 0.0968 31 C -5.5319 -0.3225 -0.6948 C.2 1 UNL11 0.6071 32 C 1.5738 5.0357 -0.7704 C.3 1 UNL11 -0.5157 33 C 5.0530 -2.4310 -1.2580 C.2 1 UNL11 0.6590 34 C 4.2109 -2.6055 3.5012 C.3 1 UNL11 -0.5120 35 C 5.5437 2.8954 1.3519 C.3 1 UNL11 -0.4591 36 C 4.1449 2.5421 -0.7139 C.3 1 UNL11 -0.4732 37 C -6.5345 -0.6973 0.3156 C.ar 1 UNL11 -0.1515 38 C 5.9969 -3.5642 -1.0692 C.3 1 UNL11 -0.5137 39 C -7.7195 0.0401 0.3698 C.ar 1 UNL11 -0.0770 40 C -6.3134 -1.7598 1.1930 C.ar 1 UNL11 -0.0766 41 C -8.6859 -0.2848 1.3179 C.ar 1 UNL11 -0.1742 42 C -7.2862 -2.0818 2.1364 C.ar 1 UNL11 -0.1756 43 C -8.4676 -1.3432 2.1997 C.ar 1 UNL11 -0.0977 44 H 1.6075 1.1423 -1.3206 H 1 UNL11 0.1542 45 H -0.6907 0.0171 0.4177 H 1 UNL11 0.1917 46 H 2.0912 -1.2355 -1.9489 H 1 UNL11 0.1653 47 H 0.6985 -0.5053 -2.7121 H 1 UNL11 0.1494 48 H -0.9150 2.5124 1.0919 H 1 UNL11 0.1859 49 H 0.5981 -3.0219 -1.7762 H 1 UNL11 0.1544 50 H 0.2811 -2.2642 -0.2176 H 1 UNL11 0.1560 51 H 2.6946 -1.9161 -0.0800 H 1 UNL11 0.1753 52 H -3.4087 1.7228 -1.3442 H 1 UNL11 0.1534 53 H 2.2993 0.7181 2.5278 H 1 UNL11 0.1747 54 H -3.5544 -0.5570 -2.2644 H 1 UNL11 0.1554 55 H 4.0925 -0.0655 -1.2618 H 1 UNL11 0.1544 56 H -1.9957 -1.5876 0.2239 H 1 UNL11 0.1704 57 H 0.0231 1.8564 -2.8367 H 1 UNL11 0.1563 58 H -1.7257 1.9619 -3.2293 H 1 UNL11 0.1484 59 H -0.6888 -2.3702 -3.7699 H 1 UNL11 0.1606 60 H -2.4234 -2.2719 -3.4579 H 1 UNL11 0.1588 61 H -1.4662 -0.7895 -3.6279 H 1 UNL11 0.1644 62 H -3.3930 0.6067 0.9523 H 1 UNL11 0.3366 63 H 5.5436 0.1870 1.4574 H 1 UNL11 0.1680 64 H 2.5743 5.1737 -0.3313 H 1 UNL11 0.1833 65 H 1.7009 4.5252 -1.7366 H 1 UNL11 0.1825 66 H 1.1577 6.0365 -0.9658 H 1 UNL11 0.1849 67 H 3.9107 -1.7148 4.0746 H 1 UNL11 0.1853 68 H 3.7644 -3.4885 3.9832 H 1 UNL11 0.1825 69 H 5.3051 -2.7020 3.5853 H 1 UNL11 0.1834 70 H 4.7932 3.5551 1.8127 H 1 UNL11 0.1610 71 H 6.0832 2.4018 2.1709 H 1 UNL11 0.1536 72 H 6.2682 3.5342 0.8282 H 1 UNL11 0.1551 73 H 3.0609 2.5477 -0.4953 H 1 UNL11 0.1825 74 H 4.4454 3.5790 -0.9055 H 1 UNL11 0.1484 75 H 4.2831 1.9927 -1.6558 H 1 UNL11 0.1577 76 H 6.9792 -3.2373 -0.6993 H 1 UNL11 0.1804 77 H 6.1392 -4.1240 -2.0046 H 1 UNL11 0.1806 78 H 5.5855 -4.2645 -0.3149 H 1 UNL11 0.2044 79 H -7.8811 0.8634 -0.3304 H 1 UNL11 0.1715 80 H -5.3860 -2.3345 1.1386 H 1 UNL11 0.1712 81 H -9.6109 0.2867 1.3696 H 1 UNL11 0.1570 82 H -7.1233 -2.9095 2.8242 H 1 UNL11 0.1568 83 H -9.2240 -1.5950 2.9422 H 1 UNL11 0.1492 @BOND 1 1 15 1 2 1 20 1 3 2 15 1 4 2 28 1 5 3 18 1 6 3 29 1 7 4 19 1 8 4 62 1 9 5 21 1 10 5 31 1 11 6 23 1 12 6 33 1 13 7 28 2 14 8 29 2 15 9 31 2 16 10 33 2 17 11 12 1 18 11 13 1 19 11 14 1 20 11 44 1 21 12 15 1 22 12 16 1 23 12 45 1 24 13 17 1 25 13 46 1 26 13 47 1 27 14 18 1 28 14 20 2 29 15 48 1 30 16 19 1 31 16 25 2 32 17 22 1 33 17 49 1 34 17 50 1 35 18 23 1 36 18 51 1 37 19 21 1 38 19 52 1 39 20 53 1 40 21 24 1 41 21 54 1 42 22 24 2 43 22 26 1 44 23 27 1 45 23 55 1 46 24 56 1 47 25 57 1 48 25 58 1 49 26 59 1 50 26 60 1 51 26 61 1 52 27 30 2 53 27 63 1 54 28 32 1 55 29 34 1 56 30 35 1 57 30 36 1 58 31 37 1 59 32 64 1 60 32 65 1 61 32 66 1 62 33 38 1 63 34 67 1 64 34 68 1 65 34 69 1 66 35 70 1 67 35 71 1 68 35 72 1 69 36 73 1 70 36 74 1 71 36 75 1 72 37 39 ar 73 37 40 ar 74 38 76 1 75 38 77 1 76 38 78 1 77 39 41 ar 78 39 79 1 79 40 42 ar 80 40 80 1 81 41 43 ar 82 41 81 1 83 42 43 ar 84 42 82 1 85 43 83 1