D0E3SB -OEChem-04152110453D 57 60 0 0 0 0 0 0 0999 V2000 0.9403 4.0936 0.0451 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0725 -1.9086 1.1048 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9726 -1.7399 -1.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3774 3.6391 0.1441 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7092 -2.1271 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3902 -0.7117 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0105 -2.8447 0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2463 -2.1506 -0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 -0.6076 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0588 0.0486 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4005 -2.4283 -1.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -2.7320 0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4792 -0.0270 -0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8817 -0.7497 1.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 0.1763 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0602 1.4500 0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6746 1.5599 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8845 2.1969 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4433 2.3314 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8653 1.6153 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5637 1.1716 0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2743 1.4524 -1.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7817 0.5041 0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 0.3113 -0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4821 0.7915 -1.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 0.0236 1.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4655 -0.3566 -0.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2129 -0.8273 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7547 -0.6377 1.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4720 -1.5170 -0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0792 -2.8968 1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 -3.8860 -0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2003 -2.1413 -1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1352 -2.7420 -0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -2.0302 -2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3816 -3.5078 -1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1421 -1.9831 -2.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 -3.8272 0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5813 -2.4129 0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6879 -2.4478 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7720 0.9517 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1347 0.1213 -1.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3901 -0.6366 -0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1327 -1.1808 2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1056 0.2556 2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7987 -1.3427 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 -0.3354 -0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9889 1.9843 0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9465 3.2725 0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1878 1.3301 1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6931 1.8181 -2.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 0.6544 -2.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2074 0.1608 2.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8256 -0.5061 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 5.0502 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3044 -0.9879 2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9207 -2.3720 0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 55 1 0 0 0 0 2 30 1 0 0 0 0 2 57 1 0 0 0 0 3 30 2 0 0 0 0 4 19 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 2 0 0 0 0 15 47 1 0 0 0 0 16 18 2 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 22 25 2 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 52 1 0 0 0 0 26 29 2 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 56 1 0 0 0 0 M END $$$$