LLV48M -OEChem-05032301312D 42 44 0 0 0 0 0 0 0999 V2000 2.0000 -3.2215 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.1283 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 -0.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 1.3194 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 5.6808 1.4809 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 3.7320 -1.2215 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 3.7320 -3.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7215 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 7.0820 2.4990 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 7.1753 0.5103 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 5.9064 4.1170 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 6.9010 4.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 -0.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9833 -1.4213 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 2.3291 -1.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0315 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 4.8831 3.1386 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 5.5420 4.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -4.2215 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 4.3520 -4.2215 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 9.1781 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5333 0.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4169 -1.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2354 -1.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5497 -1.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 19 1 0 0 0 0 3 24 1 0 0 0 0 4 19 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 17 2 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 16 29 1 0 0 0 0 17 20 1 0 0 0 0 17 30 1 0 0 0 0 18 21 2 0 0 0 0 18 31 1 0 0 0 0 20 23 2 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$