B9TIU3 -OEChem-04012118372D 52 55 0 0 0 0 0 0 0999 V2000 10.5309 -3.6164 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 4.4825 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8578 3.7102 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0855 2.5255 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3969 -3.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6648 -4.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 0.6524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -0.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -0.1523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5901 2.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 3.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6116 2.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2329 4.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 3.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -2.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -1.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9437 2.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2544 3.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -1.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -2.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0309 -4.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8048 1.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6405 2.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8409 0.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 1.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4255 4.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3409 -0.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9109 -1.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 2.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 4.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1509 -1.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -3.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4939 -4.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3409 -5.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5678 -4.1725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 1 34 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 7 33 1 0 0 0 0 7 52 1 0 0 0 0 8 33 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 11 38 1 0 0 0 0 12 16 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 21 2 0 0 0 0 17 23 2 0 0 0 0 17 37 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 22 2 0 0 0 0 19 39 1 0 0 0 0 20 27 2 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 23 41 1 0 0 0 0 24 30 1 0 0 0 0 24 42 1 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 31 1 0 0 0 0 27 43 1 0 0 0 0 28 32 2 0 0 0 0 28 44 1 0 0 0 0 29 30 2 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 34 49 1 0 0 0 0 34 50 1 0 0 0 0 34 51 1 0 0 0 0 M END $$$$