BB31DW -OEChem-04022100222D 37 39 0 0 0 0 0 0 0999 V2000 5.0653 -0.4643 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0948 -2.9588 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7099 -4.0803 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0653 -0.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0653 -0.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8137 3.5703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 -1.4643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 -1.5576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -2.3007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 1.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 2.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8253 2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8253 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 2.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 1.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7313 2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 2.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7313 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6739 4.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 4.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 -1.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8181 -0.1189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 3.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6623 0.7257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2671 2.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6623 2.3457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2671 0.7028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6022 -1.7743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9901 3.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2072 4.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3577 4.6136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2457 4.6007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4015 4.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6382 3.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 23 2 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 22 2 0 0 0 0 9 23 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 14 19 2 0 0 0 0 14 24 1 0 0 0 0 15 18 2 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$