B3E4GR -OEChem-04022102082D 43 46 0 0 0 0 0 0 0999 V2000 9.4477 2.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.9453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 2.5547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4477 0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3988 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3988 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2562 0.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9004 0.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9004 2.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 22 1 0 0 0 0 2 18 2 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 14 2 0 0 0 0 6 11 1 0 0 0 0 6 13 2 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 11 2 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 9 28 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 10 36 1 0 0 0 0 14 15 1 0 0 0 0 15 19 2 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$