B2CG5E -OEChem-04022103172D 49 53 0 0 0 0 0 0 0999 V2000 9.8220 -1.4970 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1825 -4.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5669 -5.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0785 -2.4769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.9631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 0.5924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.5577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9387 -2.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -1.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9271 -3.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7873 -4.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8105 -2.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6591 -4.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5771 -5.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6707 -3.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 -2.7806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1924 -4.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9853 -5.7426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6988 -6.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2111 -2.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 0.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 14 1 0 0 0 0 2 23 1 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 5 19 1 0 0 0 0 5 30 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 34 1 0 0 0 0 7 13 2 0 0 0 0 7 26 1 0 0 0 0 8 15 1 0 0 0 0 8 26 2 0 0 0 0 9 31 2 0 0 0 0 9 32 1 0 0 0 0 10 33 3 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 21 2 0 0 0 0 14 16 2 0 0 0 0 15 20 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 36 1 0 0 0 0 21 24 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 31 1 0 0 0 0 28 44 1 0 0 0 0 29 32 2 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 33 1 0 0 0 0 32 49 1 0 0 0 0 M END $$$$