B1X9NL -OEChem-04012117112D 40 43 0 1 0 0 0 0 0999 V2000 8.6007 1.0350 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 0.4472 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6228 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 1.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 0.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1007 1.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1007 -1.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1007 0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0171 1.8398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0171 0.2303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6007 1.0350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0709 1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0709 0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3388 1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6007 1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3388 0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 2.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1007 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1007 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6007 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6007 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1007 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6007 1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6007 -2.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6007 1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 2.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 -0.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5181 -0.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2084 -0.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2907 -1.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9107 1.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0638 -2.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2907 -2.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1377 -2.7391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1377 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9107 1.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0638 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 7 23 1 0 0 0 0 7 26 1 0 0 0 0 8 24 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 28 1 0 0 0 0 10 13 1 0 0 0 0 10 15 2 0 0 0 0 11 21 1 0 0 0 0 11 25 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 18 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 34 1 0 0 0 0 26 35 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$