D06CCR -OEChem-04152112013D 28 29 0 1 0 0 0 0 0999 V2000 -2.7399 -3.0333 0.4046 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0624 0.2731 1.8341 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5061 -0.2485 -1.0913 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7656 1.6173 -0.0176 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3977 -2.8756 -0.8089 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1796 2.8314 -0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4656 -0.2987 0.1761 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5194 0.6056 -0.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8039 1.2516 -0.1781 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9981 0.5730 0.5730 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8809 0.8648 -0.4386 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6070 1.0714 0.8770 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7566 -0.5427 -0.4385 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6299 -1.9161 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 1.6485 -0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -0.7056 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 -1.0793 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 -0.0368 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5287 0.2298 1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0297 1.7363 -1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5549 2.1064 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 -0.5685 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8014 -1.9653 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5556 -2.1813 0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6355 1.2461 -0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 -1.4575 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5029 1.9882 -0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -3.7428 -0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 10 1 0 0 0 0 4 25 1 0 0 0 0 5 14 1 0 0 0 0 5 28 1 0 0 0 0 6 15 2 0 0 0 0 7 18 2 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$