BFG1E9 -OEChem-04012120162D 36 37 0 1 0 0 0 0 0999 V2000 4.6650 1.1349 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6139 -3.1284 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.3560 2.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 1.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3049 -2.1773 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9521 -1.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7139 -0.1741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 1.7271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7139 0.8259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2528 0.3259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6650 -0.4831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7056 0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0618 0.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0618 -0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 -1.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9753 0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0799 1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9934 1.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0979 2.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3754 2.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2889 3.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2266 -0.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7074 1.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0856 0.8309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4262 0.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5634 1.2781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 1.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9970 -0.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4769 -0.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4950 1.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6643 2.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8738 3.0861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3537 3.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 5 14 2 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 19 1 0 0 0 0 9 22 2 0 0 0 0 10 13 1 0 0 0 0 10 24 1 6 0 0 0 11 12 1 0 0 0 0 11 15 1 6 0 0 0 11 16 1 0 0 0 0 12 17 1 6 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M CHG 2 2 1 6 -1 M END $$$$