MMs01209619 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 46 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 0.7494 -1.2994 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3494 -0.2601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9988 -2.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2506 1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5012 2.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -2.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6521 -3.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8056 -4.2213 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5069 -4.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 -3.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0754 -4.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4962 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0352 0.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5026 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9668 -0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9636 -1.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4341 -1.1463 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5058 1.7065 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0395 0.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5995 1.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0395 -0.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4005 1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2911 -1.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6274 -0.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1231 1.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4595 2.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5401 1.9942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1016 3.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4622 3.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4605 -0.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0995 -1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5395 0.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2126 -5.9424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3846 -5.7752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8582 0.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6639 2.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3349 -3.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7506 1.2960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 45 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 45 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 44 1 0 0 0 0 M END