B2MDN9 -OEChem-04012116412D 47 50 0 0 0 0 0 0 0999 V2000 8.4793 0.4894 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -1.6627 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7886 0.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1430 1.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4903 0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2560 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9520 -0.2732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9739 -0.4811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -1.0241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 -0.0535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7560 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.1867 1.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1867 2.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2806 0.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2806 2.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3867 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3867 2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5206 0.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5206 2.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6546 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6546 2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9226 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0565 0.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4739 0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 -0.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 -0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3957 0.6168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7975 1.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7975 2.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3957 2.8258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8760 0.2169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6742 0.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6742 3.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8760 3.2258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5206 0.1013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5206 3.3413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1177 2.5313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3211 1.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5240 1.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7207 -0.9156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4488 -0.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5614 -1.5905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3758 0.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 21 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 27 2 0 0 0 0 6 12 1 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 24 2 0 0 0 0 9 25 2 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 46 1 0 0 0 0 11 28 2 0 0 0 0 11 30 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 29 30 2 0 0 0 0 30 47 1 0 0 0 0 M CHG 2 6 -1 12 1 M END $$$$