L5R3SD -OEChem-05022323023D 42 43 0 0 0 0 0 0 0999 V2000 -3.3762 -2.6883 -0.0211 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.3114 0.3244 -0.7327 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3303 -0.8446 1.8911 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5782 2.2124 2.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2203 -0.7625 -0.4051 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 1.6955 -0.4047 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5899 2.6307 -1.4699 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5645 2.7528 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9174 0.2378 -2.3918 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6554 0.8116 0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 -0.0269 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4159 3.9071 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2591 -0.4907 1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9035 1.0433 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8897 3.5600 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2102 1.9886 1.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3592 -1.3292 0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -1.5609 0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2023 2.9344 -1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0579 -1.9044 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 -1.4295 -0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4314 -3.2074 0.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 -2.2578 -1.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9995 -4.0357 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1942 -3.5607 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 4.3915 1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 4.6088 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2016 2.0619 0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4967 4.4644 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 2.8716 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2282 2.4831 -0.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -2.5800 1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6456 2.0048 -1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 3.6274 -2.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -0.5634 -2.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8966 1.1162 -2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9738 -0.4162 -0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2867 -3.5951 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7615 2.2353 -2.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9732 -1.8877 -2.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2902 -5.0503 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6368 -4.2054 -2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 4 16 2 0 0 0 0 7 19 1 0 0 0 0 7 39 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 31 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 2 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 18 2 0 0 0 0 14 28 1 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 17 18 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$