EXO2782 -OEChem-04222009272D 47 49 0 1 0 0 0 0 0999 V2000 6.3301 -0.4081 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1643 -0.9037 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 1.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1373 0.6014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0270 -2.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -0.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3214 -2.0379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9089 0.1171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5384 0.8386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0919 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2044 0.0877 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2044 1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 -0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 -1.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5486 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3245 -1.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9075 0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7662 -3.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3554 -0.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -0.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7484 -1.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.0668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.0668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2908 -2.0657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1677 -3.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6045 -4.3104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3648 -3.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1505 0.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3174 1.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 27 1 0 0 0 0 2 29 1 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 22 1 0 0 0 0 5 38 1 0 0 0 0 6 22 2 0 0 0 0 7 23 2 0 0 0 0 8 12 1 0 0 0 0 8 30 1 0 0 0 0 9 26 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 16 1 0 0 0 0 11 23 1 0 0 0 0 11 35 1 0 0 0 0 12 24 2 3 0 0 0 13 25 1 0 0 0 0 13 29 2 0 0 0 0 14 29 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 30 43 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 M END $$$$