B5E1BR -OEChem-04012120272D 44 46 0 0 0 0 0 0 0999 V2000 5.5096 1.2255 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9123 0.0400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0405 1.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 -1.6110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 0.4135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0444 0.5367 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8209 -2.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0435 -3.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -2.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7959 -2.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 0.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 0.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7765 1.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 2.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 2.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 3.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 3.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 -3.6988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1814 -4.1653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6479 -3.4228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -2.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2416 -2.9464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -3.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 -2.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4003 -2.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6579 -1.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -0.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -0.8740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -2.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 1.1672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -1.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 2.1084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5915 3.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 3.6878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 4.1653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 14 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 2 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$