BBJC89 -OEChem-04022100222D 36 38 0 0 0 0 0 0 0999 V2000 2.0000 -4.2215 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2215 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -1.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 1.2730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 2.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 3.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 2.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9064 4.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 4.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.7585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 0.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 3.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 1.9974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 4.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1054 3.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1531 4.7879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 12 1 0 0 0 0 3 18 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 12 2 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 25 1 0 0 0 0 11 16 2 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$