BRY85I -OEChem-04012116042D 45 49 0 0 0 0 0 0 0999 V2000 2.5000 -1.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8370 1.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4718 -1.6271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.9702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 2.7023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6671 -0.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4609 0.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3069 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3069 1.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0669 -0.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5103 1.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2052 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0669 1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9730 0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9730 -0.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3041 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 2.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9333 -2.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3069 -1.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 1.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -3.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3069 1.9817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -3.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0597 -1.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0489 0.6419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7945 1.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0597 2.0163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5087 -0.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7148 2.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4604 2.8057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3752 1.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 28 1 0 0 0 0 2 24 1 0 0 0 0 2 42 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 29 1 0 0 0 0 4 8 1 0 0 0 0 4 19 2 0 0 0 0 5 26 2 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 16 1 0 0 0 0 11 21 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 17 2 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 20 25 2 0 0 0 0 20 35 1 0 0 0 0 21 26 1 0 0 0 0 21 36 1 0 0 0 0 22 27 2 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$