B3LD2U -OEChem-04022115103D 50 52 0 1 0 0 0 0 0999 V2000 -3.4547 1.6381 0.7844 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 -0.4573 0.6208 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3947 1.7210 1.0267 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 4.4208 0.3076 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1647 2.6870 -1.3175 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4193 -1.1262 1.7688 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4626 -2.2625 0.1079 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1363 0.0282 0.1623 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7034 -2.1148 -0.2732 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -0.0751 0.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 -2.3485 0.0806 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9251 -4.1859 -0.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0266 -2.5244 -1.1566 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 3.5078 -0.4848 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8714 2.3189 -0.8813 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0302 2.8651 0.4134 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8873 1.4980 0.4041 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2532 2.3778 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3428 -0.6116 0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 -0.9162 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0527 -1.9390 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7231 1.1901 -0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 -0.1071 -1.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1275 -2.8214 -0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 -1.3552 -0.2969 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5098 -1.0242 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4918 -1.6339 0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0935 1.2504 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3827 4.0584 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3838 1.7583 -1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3302 3.5468 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6719 1.8161 1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9658 1.6197 -1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7245 3.2159 -0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 5.1492 0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0568 3.2928 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8687 -0.6767 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6739 1.0916 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 2.0120 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 0.0326 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2345 -0.2754 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3776 -1.2715 0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9931 -4.5413 -0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -4.8073 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1934 -2.3820 -1.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -3.3428 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7359 1.2734 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4329 1.8518 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0937 1.6908 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2289 -1.3188 2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 26 1 0 0 0 0 2 28 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 14 1 0 0 0 0 4 35 1 0 0 0 0 5 15 1 0 0 0 0 5 36 1 0 0 0 0 6 27 1 0 0 0 0 6 50 1 0 0 0 0 7 27 2 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 20 2 0 0 0 0 9 21 1 0 0 0 0 10 19 2 0 0 0 0 10 26 1 0 0 0 0 11 24 1 0 0 0 0 11 26 2 0 0 0 0 12 24 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 25 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 21 24 2 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$