B2ISO1 -OEChem-04012116102D 46 48 0 0 0 0 0 0 0999 V2000 6.3397 0.7775 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4699 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8431 1.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8364 -0.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7378 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2077 1.2741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8718 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8718 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6038 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6038 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7378 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7378 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9778 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0718 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9778 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4699 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0718 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6038 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4699 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4718 0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -1.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7378 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1272 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5258 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 -1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6819 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0804 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5360 -0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2938 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1408 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0899 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4699 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8499 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6101 1.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0037 -1.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 0.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 -1.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 11 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 15 1 0 0 0 0 6 36 1 0 0 0 0 7 27 3 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 12 28 1 0 0 0 0 13 19 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$