BP5EJ3 -OEChem-04022101392D 59 61 0 1 0 0 0 0 0999 V2000 7.1962 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7214 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 18 2 0 0 0 0 4 20 2 0 0 0 0 5 21 1 0 0 0 0 5 52 1 0 0 0 0 6 21 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 15 9 1 1 0 0 0 9 20 1 0 0 0 0 9 45 1 0 0 0 0 10 22 1 0 0 0 0 10 25 2 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 1 0 0 0 0 22 24 2 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 32 2 0 0 0 0 30 56 1 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 M END $$$$