MMs01347389 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4614 -1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4578 -3.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8851 -3.3929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8873 -1.8929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 -5.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -2.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6701 -1.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9182 -0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4182 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1701 -1.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 -2.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 -2.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6701 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4220 -2.6262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4182 -0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9182 -0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6663 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9144 2.5722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1663 1.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0498 0.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4756 0.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4734 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0462 2.4913 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.6857 2.9133 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1418 -0.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 1.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 0.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1329 -5.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3803 -6.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1485 -4.9077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7154 -3.8194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 -3.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 1.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 1.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0236 -3.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3236 -3.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7116 -1.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0464 -0.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6806 -1.0776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4475 -0.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M END