BB2KP1 -OEChem-04022106322D 54 58 0 1 0 0 0 0 0999 V2000 5.1724 0.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.6132 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0134 -1.0286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7415 -4.0683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.6187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5000 0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -0.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 3.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 -1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 3.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 -2.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 4.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 3.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2144 -3.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 5.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6401 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7129 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 5.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 3.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2144 -3.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 4.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2114 -5.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7129 -4.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2114 -5.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 0.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 0.1586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -0.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 2.5568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 2.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 1.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 1.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 2.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4237 -1.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0851 -1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 3.3032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 4.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2015 2.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 5.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1037 -2.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2015 5.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2793 -4.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6505 3.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5254 -2.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6505 4.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9005 -5.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3329 -4.2838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5205 -5.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 39 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 1 0 0 0 5 30 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 14 42 1 0 0 0 0 15 19 1 0 0 0 0 15 21 2 0 0 0 0 16 20 1 0 0 0 0 16 23 2 0 0 0 0 17 20 2 0 0 0 0 17 43 1 0 0 0 0 18 24 1 0 0 0 0 18 44 1 0 0 0 0 19 22 1 0 0 0 0 19 25 2 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 27 2 0 0 0 0 23 26 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 49 1 0 0 0 0 25 28 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$