BS8I1A -OEChem-04012116402D 51 53 0 1 0 0 0 0 0999 V2000 5.4641 -6.9759 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 4.2793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 3.3288 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9939 2.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 4.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 5.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 6.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0228 3.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 2.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 2.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 1.1524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 1.4101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3069 4.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7201 3.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3133 4.3982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.5585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5134 6.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -6.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -5.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 4 27 2 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 34 1 0 0 0 0 6 24 1 0 0 0 0 6 27 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 3 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 44 1 0 0 0 0 22 24 2 0 0 0 0 22 45 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M END $$$$