MMs02531431 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 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 -0.7422 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9844 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4844 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2421 -1.3304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7421 -1.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9998 -0.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7421 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2420 -1.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9842 -2.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2265 -3.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7265 -3.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9843 -2.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4842 -2.6788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2264 -3.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4687 -5.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7264 -3.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4686 -5.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9686 -5.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7263 -4.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9841 -2.7058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.4842 -2.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7108 -6.6073 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -9.7576 1.2407 0.0000 C 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 -1.0428 0.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3879 -1.7072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 -2.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1857 -3.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8543 -3.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2689 -3.8055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6095 -3.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6300 0.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2986 1.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2154 1.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8748 0.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9061 0.9979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8482 -0.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8202 -5.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1203 -4.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0904 -1.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8624 -6.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.9263 -4.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8904 -1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7220 1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3638 2.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7932 0.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2422 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4843 -2.6429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 53 2 0 0 0 0 9 10 2 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END