B1A2ZI -OEChem-04042104003D 52 55 0 0 0 0 0 0 0999 V2000 -4.0505 -1.5482 -0.0067 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6214 3.6758 -0.0381 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7099 -4.2730 0.8078 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0503 2.9985 0.1094 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3736 1.3523 -0.1297 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2577 2.3232 -0.0075 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 -0.0906 -0.1233 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2113 -1.6290 -0.1243 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 2.3356 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6562 0.8055 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0665 1.0071 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0598 2.0585 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 2.3865 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1021 2.5459 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1049 1.4764 1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9948 1.6014 -1.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 3.6915 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -0.2909 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 1.1870 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1834 0.1462 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5648 2.9460 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4696 0.6928 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6550 2.0718 0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5067 -2.8530 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7698 -2.9605 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0888 -3.9526 -0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -4.1676 0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3941 -5.1596 -0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8823 -5.2673 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2448 -3.1100 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7933 1.9241 1.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6962 0.4609 0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1972 1.3876 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5974 2.1364 -2.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5897 0.5844 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0811 1.5217 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0477 4.3138 -1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1366 4.2501 0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4448 3.5648 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8992 3.9970 0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8834 0.4756 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7108 4.0198 0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2016 -1.7415 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3461 0.0482 0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6627 2.4757 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 -2.1131 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0813 -3.8833 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8468 -6.0155 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4185 -6.2102 -0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 -3.3693 1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -2.8233 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 -2.2836 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 14 2 0 0 0 0 3 27 1 0 0 0 0 3 30 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 40 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 5 41 1 0 0 0 0 6 12 1 0 0 0 0 6 19 2 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 18 1 0 0 0 0 8 24 1 0 0 0 0 8 43 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 13 21 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$