B8RA3F -OEChem-04012119392D 43 44 0 1 0 0 0 0 0999 V2000 3.0000 0.1659 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.1659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 0.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.1659 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5032 2.1138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 1.7537 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5000 2.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7601 1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4543 1.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 2.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1485 2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8916 2.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 1.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1064 2.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 3.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 3.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8936 2.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6246 2.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 1.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 2.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1632 1.2574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9428 1.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4885 3.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7088 2.8557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8574 1.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6370 1.7832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -2.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.4541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3065 2.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3524 3.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4768 3.2948 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 12 1 0 0 0 0 4 11 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 16 35 1 0 0 0 0 17 21 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 M END $$$$