B3RQF8 -OEChem-04022102132D 49 50 0 1 0 0 0 0 0999 V2000 6.0010 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 2.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 15 1 1 1 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 11 3 1 1 0 0 0 3 42 1 0 0 0 0 16 4 1 6 0 0 0 4 46 1 0 0 0 0 17 5 1 1 0 0 0 5 47 1 0 0 0 0 18 6 1 6 0 0 0 6 48 1 0 0 0 0 7 21 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 1 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 1 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 1 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 M END $$$$