MMs01199871 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 56 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 -0.7508 1.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7525 3.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2525 3.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0017 2.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2508 1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8409 -0.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 -0.1597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8026 -1.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8810 -2.6698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 -2.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 -1.3718 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6743 0.7631 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6351 1.3631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4665 2.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6491 3.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4413 4.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0395 2.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0647 0.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2725 -1.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4458 0.7855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2620 -0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7600 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4418 0.9406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6257 2.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1277 2.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 -0.6007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6007 -1.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0388 0.6007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1983 2.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1532 4.9362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8532 4.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2017 2.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2078 -3.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6108 -3.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 1.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9038 3.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4976 4.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2529 4.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2750 5.8453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6297 4.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4897 3.7209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5957 2.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5893 1.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1571 -0.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5312 -1.6425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6130 -1.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9073 -0.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7306 2.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3565 3.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5540 2.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2747 3.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 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 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END