D00681 -OEChem-05072122013D 48 52 0 1 0 0 0 0 0999 V2000 2.2780 2.7117 1.1744 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7059 -0.8587 -0.2663 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2337 -1.3877 0.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1212 -0.4105 -0.0588 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4028 -0.6539 2.2119 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9497 0.0716 2.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7222 0.7952 -0.5592 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4571 0.3416 0.9115 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4659 -0.5835 -1.2469 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0159 -1.0670 1.0539 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0219 -1.6562 -0.3211 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9241 0.2440 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9338 -0.7875 -1.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 -0.7238 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8713 1.9640 -1.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1701 1.2785 -0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8562 -0.4087 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 -0.0239 0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 1.3631 0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0592 -1.0938 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 1.6314 -1.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 -2.2255 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4192 3.0395 -1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5531 -2.9673 -1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 3.7454 -0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7775 -2.3378 -1.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9199 1.0660 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9349 -0.5728 -2.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7104 -1.6431 1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7201 -2.6753 -0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4613 1.2372 1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7643 -0.1130 2.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 -1.7693 -1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4697 -0.0731 -2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 -1.7393 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8055 1.7582 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1189 2.1328 -2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1171 2.8443 -0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3113 1.4852 -1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8934 0.5330 -0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3059 2.1902 -0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9406 -0.8100 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4472 0.8993 -1.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5173 -2.5590 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4687 3.5108 -2.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3907 -3.9154 -1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3378 4.8187 -0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7106 -2.6761 -1.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 25 1 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 17 2 0 0 0 0 6 18 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 M CHG 1 7 1 M END $$$$