BR3B6W -OEChem-04022102232D 42 44 0 1 0 0 0 0 0999 V2000 6.5026 -0.4316 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9588 0.6446 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7277 -1.8869 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.5629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5631 -0.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.5629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7386 -2.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3820 1.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3116 0.9697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5576 -0.3734 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5321 1.0629 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1454 -1.1825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5321 2.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9643 0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1399 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9753 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4808 -0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1932 0.1282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5288 -1.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 1.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 2.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0076 1.1586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3627 0.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6971 -0.8061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9690 -0.4819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7329 -1.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 3.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1031 -2.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2110 1.2110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3443 -1.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 22 1 0 0 0 0 2 15 1 0 0 0 0 2 41 1 0 0 0 0 3 16 1 0 0 0 0 3 42 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 7 12 1 0 0 0 0 7 38 1 0 0 0 0 8 20 2 0 0 0 0 9 14 2 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 23 2 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 21 24 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$