B94CVN -OEChem-04022103333D 32 33 0 0 0 0 0 0 0999 V2000 -5.6542 -1.4942 -0.0009 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.4926 -0.3989 0.0072 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 -1.2389 0.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 1.5142 0.0037 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 1.4161 -0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1405 -0.6737 -0.0037 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3248 0.1524 -0.0049 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -0.5259 -0.0053 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1850 0.9960 0.0035 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8222 0.9724 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 -0.0554 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 -0.3904 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8369 -0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9307 1.3261 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3235 0.9909 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2238 1.8491 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3712 -0.6078 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4331 -0.2589 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0373 0.1878 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9112 -2.6365 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8445 -0.2112 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6269 -1.9779 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 2.0182 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3605 2.9273 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -1.7108 -0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9623 -1.6737 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8217 -1.5404 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8728 -3.1605 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3855 -2.9416 -0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3829 -2.9416 0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5204 2.4850 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6389 1.9021 0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 21 2 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 4 15 1 0 0 0 0 4 31 1 0 0 0 0 5 19 2 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 17 2 0 0 0 0 8 19 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 32 1 0 0 0 0 10 18 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 22 1 0 0 0 0 14 16 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 M END $$$$