DR0138 -OEChem-05042004002D 44 45 0 1 0 0 0 0 0999 V2000 9.4220 0.5830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1620 -0.6771 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 -0.0048 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3242 1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8104 -0.1373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6620 0.8617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 0.9431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5536 -0.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8594 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1162 0.2229 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2967 -1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2227 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8845 -1.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1652 -0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4710 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 -0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5929 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9393 0.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3708 -0.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1505 -0.9937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7059 0.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8819 -1.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7575 -1.8904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7116 -1.0148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6835 -0.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6376 0.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7620 0.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4237 -1.1347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4696 -2.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3452 -1.9644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6766 -0.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4563 -0.6336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7975 -1.1787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9573 2.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2284 2.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 1.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 11 1 0 0 0 0 4 39 1 0 0 0 0 5 23 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 7 16 2 0 0 0 0 7 17 1 0 0 0 0 8 23 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$