B4UQP7 -OEChem-04012113052D 42 43 0 0 0 0 0 0 0999 V2000 5.4804 -2.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 0.4831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.5035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.0202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 1.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8618 -1.4803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6589 -1.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5305 -0.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7334 -0.0337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5939 -1.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3909 -1.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 0.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 1.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7239 -1.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9021 -1.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1323 -0.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2863 0.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.9827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.9827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 18 1 0 0 0 0 3 22 1 0 0 0 0 4 19 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 14 1 0 0 0 0 10 16 2 0 0 0 0 12 19 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$