BQV4B2 -OEChem-04022107092D 53 55 0 1 0 0 0 0 0999 V2000 4.4487 -0.8245 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3407 4.9427 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 4.1725 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5705 3.7567 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 2.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -1.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 0.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 -0.0693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 -1.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.3245 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9930 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.6700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5000 0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 1.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 -3.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 2.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -1.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 -1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2822 -3.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5928 -4.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 3.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5713 -4.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 0.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 1.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 1.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -1.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -1.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -0.4488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 0.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 1.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.2045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -2.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6898 -3.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2831 -4.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0851 2.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 3.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8960 -3.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3027 -3.1663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9790 -4.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5723 -5.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4435 -5.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1780 -5.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6992 -4.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 17 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 16 1 0 0 0 0 5 24 1 0 0 0 0 8 25 2 0 0 0 0 9 26 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 21 1 0 0 0 0 11 23 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 1 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 25 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 42 1 0 0 0 0 23 27 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 29 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 30 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END $$$$