LD2RQ9 -OEChem-05022323123D 55 57 0 0 0 0 0 0 0999 V2000 2.0428 1.1336 -2.3109 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1005 4.1862 1.7794 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8174 -1.3295 0.9235 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 -2.1425 0.3319 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1392 -0.4054 -0.9242 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3053 0.8302 1.2456 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 -2.0437 1.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1061 -3.2584 -0.0318 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7699 3.3385 0.5092 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2737 0.8240 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 -0.4654 0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2513 2.3260 -0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 1.2806 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9831 -0.8827 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1595 1.6960 -0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 -0.0107 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 2.6812 -0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4572 1.2787 -0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0207 -2.1515 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4214 -3.6990 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4905 -2.7307 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3006 -2.4622 0.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2383 2.1726 -0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3825 3.5181 0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1118 -2.8688 -1.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -1.6929 0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5127 2.5283 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6952 3.8137 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9731 -2.3180 1.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1053 -1.9692 -1.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8559 -0.7933 0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4773 -0.9315 -0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9801 0.5476 -1.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8411 3.2494 -0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3156 1.9672 -1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 2.7109 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0910 2.0101 -1.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8114 -1.6697 -0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5514 -3.0926 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5936 -4.6811 -0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4406 -3.8440 1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7742 -3.5367 -0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -3.6718 -1.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3891 -1.5739 1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3978 2.1698 -1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9382 4.4605 2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2595 -2.0538 2.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8799 -1.7127 1.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2428 -3.3716 1.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5883 -2.0759 -2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 0.0145 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2498 -0.2301 -1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9505 0.0655 -1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5955 0.8196 -2.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1602 1.4230 -0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 11 1 0 0 0 0 3 19 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 16 1 0 0 0 0 5 33 1 0 0 0 0 6 13 2 0 0 0 0 7 22 2 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 8 42 1 0 0 0 0 9 27 2 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 14 16 2 0 0 0 0 15 18 2 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 37 1 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 25 30 1 0 0 0 0 25 43 1 0 0 0 0 26 31 2 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 32 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END $$$$