BIAB25 -OEChem-04022109132D 44 47 0 0 0 0 0 0 0999 V2000 6.7526 1.4771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0267 3.2846 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0305 2.2885 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0305 2.2808 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 1.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2864 -0.7846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7566 -1.2846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0184 -1.7846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3402 -2.0894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1364 0.7569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9505 0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 0.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3402 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5959 0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -0.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2864 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1524 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2612 -0.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1073 1.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0184 -0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1524 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8021 1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0578 1.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9284 -0.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0344 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1524 -3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9365 0.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0305 2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5175 -0.7294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8074 0.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 -0.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1926 -0.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6719 -0.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 -1.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8505 -0.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 1.9377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1856 2.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4618 -0.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0332 1.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5324 -3.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1524 -3.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7724 -3.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4746 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 29 1 0 0 0 0 5 11 1 0 0 0 0 5 40 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 21 1 0 0 0 0 8 22 2 0 0 0 0 9 16 2 0 0 0 0 10 17 1 0 0 0 0 10 26 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 15 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 30 1 0 0 0 0 16 22 1 0 0 0 0 17 21 2 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 24 2 0 0 0 0 20 37 1 0 0 0 0 21 25 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 25 28 2 0 0 0 0 25 39 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$