B9P8QA -OEChem-04042103103D 28 29 0 0 0 0 0 0 0999 V2000 -3.2891 -1.0765 0.1505 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8512 2.0202 -0.4923 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -2.4811 0.4869 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9399 1.2400 0.3327 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0692 -0.8353 -0.3714 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2314 -0.2000 0.0216 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3977 0.1632 -0.0156 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4934 0.3249 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0907 0.8580 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3092 0.5379 -1.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1686 0.9081 1.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9507 -1.3515 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -0.1078 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8218 1.0791 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9642 -1.2049 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2137 1.1690 0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3561 -1.1151 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 0.0719 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2804 0.0360 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 0.1103 -2.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4783 1.6015 -1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1376 0.4286 1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 1.9875 1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 0.7360 2.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 1.9424 0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5142 -2.1337 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6666 2.1070 0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9217 -1.9872 -0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 9 2 0 0 0 0 3 12 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$