BS79XP -OEChem-04022101472D 31 31 0 0 0 0 0 0 0999 V2000 3.7320 -2.9720 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0280 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9720 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.3380 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.6060 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -3.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -2.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 3.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 3.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -1.5546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 20 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 5 20 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 26 1 0 0 0 0 16 19 2 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$