BX2QE3 -OEChem-04022106202D 41 43 0 0 0 0 0 0 0999 V2000 5.4641 -0.4683 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.9970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 -1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -3.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 -3.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.8417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.2783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.8417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.9948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.6863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 2.8646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -2.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6541 -0.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2741 -3.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8441 -2.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6541 -3.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 15 1 0 0 0 0 4 8 1 0 0 0 0 4 26 1 0 0 0 0 5 9 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 11 2 0 0 0 0 10 14 2 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$