MMs01453796 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 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 1.2970 0.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2931 2.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8951 0.7603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 -1.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4932 0.7672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7982 -1.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0912 0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0276 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6893 0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8421 2.2732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3085 2.5890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0620 1.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0612 0.1745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3770 -1.2918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5542 1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1679 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6601 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5386 0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9248 2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4326 2.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8033 3.4180 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 1.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0376 -0.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 -1.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 1.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4931 2.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2899 3.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0931 2.2503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 -0.9103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8919 1.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 1.9672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3175 1.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8601 1.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4874 -2.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5193 -1.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4651 -1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1511 -1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7323 0.7111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9416 3.4499 0.0000 H 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 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 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 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 44 1 0 0 0 0 M END