BUH3B9 -OEChem-04012118292D 94 99 0 0 0 0 0 0 0999 V2000 4.5411 -4.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3975 4.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2013 3.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6032 3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -5.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1295 3.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -2.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5314 3.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 -0.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0673 5.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8712 3.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7372 4.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -6.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -6.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7122 4.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2122 4.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -5.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0431 3.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2341 4.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -4.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2635 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -3.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3975 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6654 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6654 4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7994 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7994 5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9334 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9334 4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2013 4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3353 5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4693 4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8712 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6032 5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8712 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3353 6.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7372 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6032 6.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7372 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4693 6.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7372 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 -7.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 -6.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 -6.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 -7.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1271 3.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2138 4.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7786 5.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0206 5.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1844 -6.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 -5.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -5.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 -6.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7331 2.8258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5447 2.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1692 5.3806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6141 4.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -3.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1984 -4.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8650 2.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6620 2.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 -2.4206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5314 2.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -3.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2024 5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0041 -0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7994 2.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -2.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7994 5.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -0.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3964 3.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6761 -1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0673 5.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4693 4.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8712 -0.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8722 6.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2742 2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0663 6.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2742 0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4693 7.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3343 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2003 5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 25 2 0 0 0 0 3 38 2 0 0 0 0 4 39 2 0 0 0 0 5 52 2 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 22 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 26 1 0 0 0 0 8 73 1 0 0 0 0 9 25 1 0 0 0 0 9 27 1 0 0 0 0 9 74 1 0 0 0 0 10 36 1 0 0 0 0 10 38 1 0 0 0 0 10 83 1 0 0 0 0 11 37 1 0 0 0 0 11 39 1 0 0 0 0 11 84 1 0 0 0 0 12 44 1 0 0 0 0 12 52 1 0 0 0 0 12 93 1 0 0 0 0 13 45 1 0 0 0 0 13 52 1 0 0 0 0 13 94 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 19 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 21 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 63 1 0 0 0 0 19 64 1 0 0 0 0 20 65 1 0 0 0 0 20 66 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 24 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 25 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 28 75 1 0 0 0 0 29 33 1 0 0 0 0 29 76 1 0 0 0 0 30 34 2 0 0 0 0 30 77 1 0 0 0 0 31 35 2 0 0 0 0 31 78 1 0 0 0 0 32 36 2 0 0 0 0 32 79 1 0 0 0 0 33 37 2 0 0 0 0 33 80 1 0 0 0 0 34 36 1 0 0 0 0 34 81 1 0 0 0 0 35 37 1 0 0 0 0 35 82 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 2 0 0 0 0 40 46 1 0 0 0 0 41 43 2 0 0 0 0 41 47 1 0 0 0 0 42 44 1 0 0 0 0 42 85 1 0 0 0 0 43 45 1 0 0 0 0 43 86 1 0 0 0 0 44 48 2 0 0 0 0 45 49 2 0 0 0 0 46 50 2 0 0 0 0 46 87 1 0 0 0 0 47 51 2 0 0 0 0 47 88 1 0 0 0 0 48 50 1 0 0 0 0 48 89 1 0 0 0 0 49 51 1 0 0 0 0 49 90 1 0 0 0 0 50 91 1 0 0 0 0 51 92 1 0 0 0 0 M END $$$$