D0E3RW -OEChem-04152109352D 51 54 0 1 0 0 0 0 0999 V2000 6.3582 -0.6340 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.7218 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1923 -1.1296 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9381 1.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1654 0.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 -2.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9381 -0.8467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3494 -2.2638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9370 -0.1087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -1.6728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5664 0.6127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2325 -0.1381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2325 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9046 -0.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6102 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5767 -1.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3525 -1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9355 -0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -1.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1222 -3.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4425 -0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9934 -0.7102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8815 -0.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2801 -0.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7764 -1.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 1.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 3.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3188 -2.2916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 0.1769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -1.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5236 -3.3243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9604 -4.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7207 -3.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1786 0.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3454 1.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 26 1 0 0 0 0 2 32 1 0 0 0 0 3 29 1 0 0 0 0 3 31 1 0 0 0 0 4 17 2 0 0 0 0 5 21 1 0 0 0 0 5 41 1 0 0 0 0 6 21 2 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 8 33 1 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 16 10 1 1 0 0 0 10 22 1 0 0 0 0 10 38 1 0 0 0 0 11 24 2 0 0 0 0 12 27 1 0 0 0 0 12 31 2 0 0 0 0 13 28 1 0 0 0 0 13 32 2 0 0 0 0 14 31 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 6 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 29 42 1 0 0 0 0 30 43 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 32 46 1 0 0 0 0 33 47 1 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 M END $$$$