B4K0IJ -OEChem-04012116312D 40 43 0 1 0 0 0 0 0999 V2000 3.3100 -0.2255 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9883 -1.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 0.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -1.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2989 1.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 0.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5719 -0.7255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1017 -1.2255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9493 1.0577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8008 0.1257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6441 1.4149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -0.2255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0420 -1.2255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9883 0.0792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5719 -0.7255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1760 -1.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1555 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1555 -1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1060 -0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8503 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6936 1.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5451 0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4957 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 0.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 -2.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6008 0.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 -1.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 -2.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5746 -2.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8849 1.4912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9629 -2.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5657 2.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9287 -0.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8372 1.3405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0572 1.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3030 -0.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0850 0.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6883 1.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 4 17 1 0 0 0 0 15 5 1 1 0 0 0 5 31 1 0 0 0 0 6 33 1 0 0 0 0 16 8 1 6 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 19 2 0 0 0 0 9 20 1 0 0 0 0 10 18 2 0 0 0 0 10 22 1 0 0 0 0 11 21 1 0 0 0 0 11 23 1 0 0 0 0 11 35 1 0 0 0 0 12 21 1 0 0 0 0 12 22 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 6 0 0 0 14 17 1 0 0 0 0 14 26 1 1 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$