B2KUP5 -OEChem-04042103093D 39 40 0 0 0 0 0 0 0999 V2000 -4.2443 1.1231 0.0212 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 0.9326 -0.0431 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 1.0332 -0.0108 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 -3.1739 -0.0236 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5153 -2.1997 0.0273 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8459 1.2433 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6826 0.2427 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 0.5990 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8119 0.2867 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 0.2742 1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8476 0.3213 -1.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 -1.0987 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 -1.7609 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 0.3548 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 -1.0275 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0501 -0.3283 1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1054 -0.2811 -1.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7068 -0.6059 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0614 2.5335 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4175 3.2065 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4802 -1.6750 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7384 1.8905 0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7767 1.9260 -0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7727 -0.3644 -0.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.4239 0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3964 1.9461 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2898 0.4835 2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3889 0.5677 -2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1099 -1.6899 -0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5181 -0.5817 2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6166 -0.4978 -2.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6861 -1.0752 0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 2.8421 0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5148 2.8472 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1588 -3.6828 -0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9046 -3.6854 -0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9999 2.9085 -0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9938 2.9048 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3142 4.2953 0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 26 1 0 0 0 0 3 9 2 0 0 0 0 3 14 1 0 0 0 0 4 13 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 21 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 10 27 1 0 0 0 0 11 17 2 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 M END $$$$