BLRJ48 -OEChem-04022101092D 50 52 0 0 0 0 0 0 0999 V2000 7.6537 0.8784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6537 0.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6537 0.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6537 1.8784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4627 -0.7094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 -2.4694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -3.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7876 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5197 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7876 3.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5197 3.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6537 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6537 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8446 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1537 -1.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1537 -1.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4137 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7414 -2.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -2.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -3.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -3.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1771 2.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5756 1.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7317 1.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1303 2.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5756 3.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1771 3.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1303 3.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7317 3.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0522 4.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2551 4.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 -0.5178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6053 -0.9900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0034 -0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2221 0.1893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2398 -2.8339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 -2.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2430 -2.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 -3.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 -3.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -1.6543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 -4.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -1.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -4.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -2.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 14 1 0 0 0 0 4 20 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 7 17 1 0 0 0 0 7 20 1 0 0 0 0 7 44 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 45 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 25 2 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 M END $$$$