B1PBD8 -OEChem-04022102112D 39 40 0 0 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 4.7601 1.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.7048 0.0000 O 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 2.1910 1.7537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.7048 0.0000 N 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 8.1485 2.1649 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 8.8916 2.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5032 2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8427 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 1.7537 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 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 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 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 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 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 9.1827 3.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 3.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7943 2.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0146 2.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6511 1.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4323 2.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0343 3.1147 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 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 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 6 14 2 0 0 0 0 7 15 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$