B8HWE5 -OEChem-04022104073D 36 38 0 0 0 0 0 0 0999 V2000 5.9869 1.9380 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3152 1.5211 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 -2.9825 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3361 -2.9513 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1503 2.4095 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 -0.8605 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2739 -0.9108 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0861 -0.1877 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3915 -0.1360 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 -0.2808 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1911 -2.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9951 0.2130 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 0.2117 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2042 0.0230 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2042 0.0216 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2035 0.9096 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 0.9083 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4605 0.6287 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4607 0.6273 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8084 1.2573 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0888 0.9308 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1215 1.2493 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 -2.9194 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5367 -0.0503 -2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5392 -0.0524 2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7284 -0.2059 2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7285 -0.2083 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6634 1.1759 -2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6713 1.1766 2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9449 0.8627 2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9396 0.8576 -2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 -2.5461 -0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 -3.9622 0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2595 2.0961 -0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5993 1.6574 -0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 35 1 0 0 0 0 2 22 1 0 0 0 0 2 36 1 0 0 0 0 3 11 2 0 0 0 0 3 12 1 0 0 0 0 4 11 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 23 3 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 8 23 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 20 2 0 0 0 0 16 28 1 0 0 0 0 17 21 2 0 0 0 0 17 29 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 2 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 M END $$$$