MMs02072353 MOE2007 2D CORINA 3.40 0006 02.08.2006 46 48 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 0.4989 -1.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3523 -2.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5593 -3.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 -5.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8951 -6.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -5.4199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4155 -4.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9029 -4.4225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8397 -2.8436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7513 -1.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 -6.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9739 -3.3420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9366 -1.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1278 -0.9309 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5129 -1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5102 0.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0891 -1.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2803 -0.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6654 -0.8350 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6654 0.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9454 -0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0847 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5089 -2.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0137 -2.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1317 0.3991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 1.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1317 -0.3991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 -0.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4806 -0.6994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7043 -2.3817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1878 -6.3443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5403 -7.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9716 -7.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8668 -2.5179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3966 -2.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2442 -2.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3967 0.5526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9264 0.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2161 0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8169 0.7720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7657 -0.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1386 -1.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6591 -2.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2887 -3.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END