BVL47K -OEChem-04012113522D 44 48 0 0 0 0 0 0 0999 V2000 9.1087 2.0059 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9863 2.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9737 -1.2651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5814 0.8817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9331 1.6504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9237 -0.3177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0775 -1.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4173 -2.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5211 -2.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2937 -0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6087 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6087 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9177 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6361 0.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2843 1.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9032 -0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 2.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 0.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3213 2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 0.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8024 -1.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5218 -1.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6924 -2.7169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9730 -1.8862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9655 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7962 -3.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7273 -0.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2420 1.0129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4902 -0.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 2.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1213 -0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 2.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 0.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9065 2.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1475 2.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 1.4045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 0.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4592 0.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 17 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 14 2 0 0 0 0 5 16 1 0 0 0 0 6 12 1 0 0 0 0 6 18 2 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 13 33 1 0 0 0 0 15 17 1 0 0 0 0 16 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 24 2 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$