B7QA9J -OEChem-04022106423D 43 47 0 0 0 0 0 0 0999 V2000 5.7824 1.0581 -1.9367 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3158 0.2692 -0.3158 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1957 -0.8688 2.4183 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7357 -0.7930 -0.6015 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -0.2758 0.3578 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0534 -0.2132 1.8527 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 0.0825 1.6392 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6937 -1.9231 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -0.7381 0.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9774 -1.9056 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2356 0.3300 -0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9928 0.4099 0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1086 1.4784 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9297 -3.1024 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4535 -3.0832 -1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0995 -0.6444 1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4306 -4.2659 -0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6941 -4.2558 -1.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0455 2.3521 -1.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0195 1.7191 0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8891 3.4615 -1.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8630 2.8286 0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4988 -0.0868 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7978 3.6998 -0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4938 0.3577 0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 0.7131 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9543 0.8287 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9663 1.2048 -0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4659 1.3627 -1.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 1.3361 0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0614 -3.1416 0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4404 -3.1014 -1.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 -5.1754 -0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0928 -5.1590 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3431 2.1807 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0838 1.0497 1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -0.1158 -0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8386 4.1399 -2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5709 3.0142 1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4548 4.5635 -0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1379 0.6544 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 1.3518 -0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0084 1.6424 -2.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 29 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 16 2 0 0 0 0 4 10 1 0 0 0 0 4 11 2 0 0 0 0 5 16 1 0 0 0 0 5 23 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 23 2 0 0 0 0 7 25 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 30 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 24 2 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 28 29 2 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 M END $$$$