B84BXA -OEChem-04022106042D 45 47 0 0 0 0 0 0 0999 V2000 4.2634 4.0878 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2634 4.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2634 4.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -5.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -4.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 -3.2782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 5.0878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 3.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 1.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 1.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -1.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 -1.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -2.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -3.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -4.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 -5.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 -3.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -3.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3794 -5.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9671 -4.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 1.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 1.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 2.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 2.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6620 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1278 -1.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -2.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 -2.7766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8003 5.3978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 5.3978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0204 -5.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3137 -2.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6315 -5.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9248 -3.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5837 -4.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 -5.3978 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 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 5 23 2 0 0 0 0 6 26 1 0 0 0 0 6 45 1 0 0 0 0 7 26 2 0 0 0 0 8 21 1 0 0 0 0 8 23 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 18 2 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 24 27 1 0 0 0 0 24 40 1 0 0 0 0 25 28 2 0 0 0 0 25 41 1 0 0 0 0 27 29 2 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 M END $$$$