MMs03082179 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 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 -0.9615 -1.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2721 0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5953 -2.6059 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2847 -3.7650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8655 -3.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0168 -2.4422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4581 -1.0501 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6172 -1.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2559 0.2201 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8559 1.2593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5548 1.5461 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9548 2.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 1.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 2.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7549 0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 -1.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -4.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3133 -5.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 -3.1646 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9767 -2.2384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2873 -3.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4195 -2.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 -1.4030 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8554 -2.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9209 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7544 -1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5522 -2.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4555 -0.0211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6577 1.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9545 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4605 -0.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7692 0.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4605 0.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0335 1.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1433 1.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1005 2.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7917 3.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9726 -3.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4804 -3.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3269 -0.8243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 0.4243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 1.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0195 2.2653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6415 0.6109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9992 -1.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1537 0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9098 1.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5527 1.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7212 -5.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.2231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6573 0.9312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8021 -6.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7519 1.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 49 1 0 0 0 0 18 19 2 0 0 0 0 18 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 51 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 43 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 49 54 1 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 M END