BTHR53 -OEChem-04022106352D 43 46 0 1 0 0 0 0 0999 V2000 4.5981 1.7363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 -1.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.2154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2571 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3580 1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2637 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 3.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2605 1.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7517 2.2499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 2.2407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9985 0.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5862 3.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 1.4592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9860 3.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 3.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 31 1 0 0 0 0 4 15 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 20 3 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 27 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 16 21 1 0 0 0 0 16 32 1 0 0 0 0 17 22 2 0 0 0 0 17 33 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 0 0 0 0 19 24 2 0 0 0 0 19 35 1 0 0 0 0 21 25 2 0 0 0 0 21 38 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 26 2 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$