B2QD1M -OEChem-04022105282D 47 50 0 0 0 0 0 0 0999 V2000 8.9282 -0.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 -0.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -1.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 1.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 -0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 1.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4131 -1.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4131 1.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8620 -0.7729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7504 0.0494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5965 0.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3663 1.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 26 1 0 0 0 0 5 17 1 0 0 0 0 5 29 1 0 0 0 0 6 13 1 0 0 0 0 6 32 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 33 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 36 1 0 0 0 0 19 22 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M END $$$$