LLV48M -OEChem-05032301573D 42 44 0 0 0 0 0 0 0999 V2000 4.3180 -2.8056 -0.0029 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4641 2.7183 0.0014 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9297 0.8526 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4729 3.1088 -0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0331 1.8038 0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 0.2373 0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1185 0.2684 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8848 -0.9461 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6932 1.5222 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2609 1.0449 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 1.4714 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -0.4200 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2201 -0.3494 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4888 1.7068 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4072 -1.0818 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6759 0.9743 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2563 -1.5360 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2579 -1.5356 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 1.9240 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -2.7155 -1.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0025 -2.7151 1.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9289 -1.1680 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3741 -3.3050 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3347 1.1276 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0935 -0.1822 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 2.8026 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 -0.8967 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 2.7928 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6232 1.5070 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9738 -1.0889 -2.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9766 -1.0882 2.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -3.1744 -2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2938 -3.1738 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0110 -1.7951 0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7912 -0.4919 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0113 -1.7943 -0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9547 -4.2229 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5908 1.7070 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5899 1.7062 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8312 -0.7797 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8321 -0.7790 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1732 -0.0086 -0.0022 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 $$$$