B3R4VN -OEChem-04022105302D 49 52 0 0 0 0 0 0 0999 V2000 9.4651 -0.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 -0.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 -1.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7273 1.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9572 -0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9572 1.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8632 0.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8632 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5953 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9500 -1.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9500 1.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3990 -0.7729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2873 0.0494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1334 0.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9032 1.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5600 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 7 1 0 0 0 0 4 19 1 0 0 0 0 4 29 1 0 0 0 0 5 13 1 0 0 0 0 5 32 1 0 0 0 0 6 26 1 0 0 0 0 6 48 1 0 0 0 0 6 49 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 33 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 21 2 0 0 0 0 14 34 1 0 0 0 0 15 19 2 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 22 1 0 0 0 0 17 36 1 0 0 0 0 18 23 2 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 40 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M END $$$$