BJ6R3D -OEChem-04022108303D 45 47 0 0 0 0 0 0 0999 V2000 0.2556 0.3886 -0.4936 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 1.2022 0.7595 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9472 -4.0024 -0.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3088 -2.5306 1.2856 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8328 -0.4854 -0.5565 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5933 1.6152 0.1295 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1024 -0.0396 -0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9263 1.2739 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 0.5383 -0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5002 -1.8105 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3518 -0.6537 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 2.0395 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0522 2.0348 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8192 2.1638 -0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4615 0.1182 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4000 -0.9127 0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3165 1.4387 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6991 0.7910 0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2516 -0.0426 -0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1194 -0.4946 0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2513 -2.7780 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 1.6638 -0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8226 1.2456 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8381 -2.2963 0.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6270 -0.4676 -0.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3356 -2.1728 -1.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6189 -1.7503 -1.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4706 -1.6791 -0.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0065 2.2007 1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1666 2.7991 -0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 3.0615 0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 2.0382 -1.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1126 3.1675 0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4552 -0.3190 -0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1979 2.0135 0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4459 -1.1628 1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2576 2.6829 -0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4757 1.9380 -1.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0773 -2.8670 -0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0542 -2.8471 1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7140 -2.2684 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5853 -1.3279 -1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2207 -0.7260 0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1622 0.3305 -1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7803 -4.6578 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 21 1 0 0 0 0 3 45 1 0 0 0 0 4 21 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 13 2 0 0 0 0 10 21 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 25 1 0 0 0 0 20 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$