D0Q3UL -OEChem-10101305032D 43 45 0 0 0 0 0 0 0999 V2000 4.5981 -0.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6550 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0901 1.3797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 0.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 1.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -1.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -0.4879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 1.1779 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 11 1 0 0 0 0 1 12 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 6 13 1 0 0 0 0 7 20 1 0 0 0 0 7 26 2 0 0 0 0 8 21 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 11 17 2 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 20 2 0 0 0 0 14 24 1 0 0 0 0 15 21 2 0 0 0 0 15 28 1 0 0 0 0 16 23 1 0 0 0 0 16 30 1 0 0 0 0 17 22 1 0 0 0 0 17 29 1 0 0 0 0 18 31 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 43 1 0 0 0 0 M CHG 2 4 -1 6 1 M END $$$$