MMs02895626 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 66 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 1.3035 -0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9015 -0.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4995 -0.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4817 2.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1872 1.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0797 2.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4537 1.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4507 2.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6930 4.1172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 3.7966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2950 5.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7858 5.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3878 7.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4989 8.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0081 8.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4061 6.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7742 0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2035 -0.2184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3123 0.7919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7416 0.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8503 1.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0622 -1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4915 -1.5835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8121 -3.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7033 -4.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2414 -3.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3501 -2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7794 -2.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1000 -4.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9913 -5.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5619 -4.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3118 -6.8897 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5293 -4.8691 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5938 1.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0428 0.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5938 -1.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5376 -1.6661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0803 -1.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8212 0.9301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3639 0.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5067 -1.9114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8369 -0.5475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4746 3.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1444 2.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6449 2.7043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4969 4.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5804 7.1632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9805 9.3381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2970 9.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2134 6.5669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8872 -0.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0558 1.9642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8632 -1.1775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9022 -2.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3785 -0.7753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0936 -1.3213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6664 -2.1404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -5.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 2 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 57 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 34 35 2 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 63 1 0 0 0 0 M END