MMs01794456 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 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 0.7579 1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 1.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0159 2.5980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5841 3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4841 2.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2261 3.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7738 3.8925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2738 3.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0158 2.5797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 5.1777 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8317 5.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2897 6.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5317 5.1685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2737 3.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7737 3.8558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5316 5.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0316 5.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 6.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0475 7.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 7.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7896 6.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2896 6.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5476 7.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0355 0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 -1.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 -0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3579 0.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 0.0853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4579 1.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2652 2.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1802 4.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3326 7.0749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6961 7.5242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 5.8877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6674 2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6252 4.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9895 6.4281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6539 8.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9539 8.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 1.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 1.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 41 1 0 0 0 0 8 9 1 0 0 0 0 8 32 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 13 1 0 0 0 0 11 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 41 42 1 0 0 0 0 M END