MMs01177853 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 -0.8831 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2747 -2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1578 -3.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 -3.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2579 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 -1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9832 0.3172 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2169 -2.7421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5915 -2.2403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4329 -3.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 -4.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3536 -5.4116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8915 -1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8933 0.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1896 -2.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4895 -1.4950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4913 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2429 1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7429 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7877 -2.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7859 -3.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0876 -1.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0894 0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3894 0.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6875 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6857 -1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3858 -2.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -0.3533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 0.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 0.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -4.8928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3559 -4.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4511 -2.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -1.2753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8232 -0.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6329 -3.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5569 -4.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4172 -3.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9598 -3.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2913 0.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8065 1.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4527 2.4846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6148 0.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 2.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0876 -2.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9074 -0.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8849 0.5659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6191 1.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1618 1.6686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0993 1.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8690 -0.2111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8677 -1.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0948 -2.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6133 -3.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1560 -3.1699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 9 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 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 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 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 M END