B6IEX3 -OEChem-04022105183D 47 52 0 0 0 0 0 0 0999 V2000 3.8565 2.2484 -0.2166 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9922 -2.0739 -0.2568 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8973 0.9291 0.0288 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0122 2.9909 0.1737 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 3.9597 0.0373 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0909 -1.9702 -1.2395 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1076 -2.7790 0.8055 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6249 -0.5065 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 1.9043 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9829 -1.1109 0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 -0.1176 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 1.7234 0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2715 1.1852 -0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2753 0.5879 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6156 0.7463 0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 3.2951 -0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3515 -2.4428 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2951 -0.3982 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4531 -0.4613 0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3934 3.1623 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1928 2.0925 0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6745 -1.7407 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7108 -2.7552 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4372 -0.7399 -0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 -1.8888 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3124 -1.3513 1.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8968 -0.1228 -1.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9142 -0.9022 -2.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1448 -2.4612 1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9226 -1.0023 -0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1747 -0.7310 1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0147 -0.8302 -0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8628 -0.4116 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9895 3.8787 -0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6115 -3.2282 0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9820 0.4317 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 4.1770 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2661 2.2124 0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0218 -3.7967 0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5735 -1.1908 2.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5307 0.7885 -2.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7721 -2.7058 -1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5265 -0.7919 -2.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0497 -3.1649 2.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9211 -1.4472 -0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7602 -0.4477 -1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9199 -0.3484 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 22 1 0 0 0 0 2 30 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 20 1 0 0 0 0 5 16 2 0 0 0 0 6 25 1 0 0 0 0 6 28 1 0 0 0 0 6 42 1 0 0 0 0 7 25 2 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 19 1 0 0 0 0 15 21 1 0 0 0 0 16 34 1 0 0 0 0 17 23 2 0 0 0 0 17 35 1 0 0 0 0 18 22 2 0 0 0 0 18 36 1 0 0 0 0 19 24 2 0 0 0 0 19 26 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 26 29 2 0 0 0 0 26 40 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$