B7PGD9 -OEChem-04022101092D 50 52 0 1 0 0 0 0 0999 V2000 6.4432 1.0626 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.6693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7676 3.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5478 2.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3387 0.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 3.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4487 1.1671 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9487 2.0332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8660 0.8307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9706 1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7796 0.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3554 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4378 0.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8445 0.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0255 1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8390 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0200 1.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1744 4.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4268 0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5678 2.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8985 0.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9058 2.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3506 1.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4696 -0.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 0.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4801 -0.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7734 2.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0912 -0.6264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3845 2.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 4.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 5.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 4.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.8593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.8593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0434 0.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.4793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.4793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -4.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -5.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -4.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 19 1 0 0 0 0 12 3 1 6 0 0 0 4 15 1 0 0 0 0 4 22 1 0 0 0 0 7 15 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 1 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 20 38 1 0 0 0 0 21 25 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 26 1 0 0 0 0 23 43 1 0 0 0 0 24 27 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$