BW8MS4 -OEChem-04022105593D 37 39 0 0 0 0 0 0 0999 V2000 0.0933 4.1191 1.2102 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3674 2.0345 0.0614 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 4.1969 -1.0816 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 -2.0793 -0.0287 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1152 -0.0573 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3036 -0.0178 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 1.3387 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1068 -0.7335 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 2.0543 0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3387 -0.8289 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 1.3761 0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 -0.7210 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9366 -1.2418 1.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9204 -1.1599 -1.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0774 3.5113 0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6672 -1.9899 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6879 -0.1301 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1162 -1.9856 1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -1.9036 -1.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6978 -2.3164 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9001 -2.6212 0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -0.8446 -0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0961 -1.8195 -0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1957 1.9626 0.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4966 -0.9922 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4676 -0.8457 -2.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 3.0449 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2451 1.5342 0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8424 -2.4959 1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 0.8427 -1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -2.3070 2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5531 -2.1612 -2.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6164 -2.8955 -0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0327 -3.6090 0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7763 -0.4318 -1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0869 3.7149 -1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1091 5.2110 -1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 7 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 15 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 21 2 0 0 0 0 4 22 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 8 23 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 24 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 25 1 0 0 0 0 14 19 2 0 0 0 0 14 26 1 0 0 0 0 16 21 1 0 0 0 0 16 29 1 0 0 0 0 17 22 2 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$