MMs01991716 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 46 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 -0.7454 1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5092 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 1.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7546 1.2857 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7361 3.8998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1211 5.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2323 6.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 5.5302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2273 4.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 2.9507 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7011 3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7088 2.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2503 0.7285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1749 2.4738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1825 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7241 -0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7317 -1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1978 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6563 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6486 1.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1224 0.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1300 -0.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6716 -1.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2055 -1.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 -1.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9454 1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1129 3.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0963 -1.0467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 5.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1026 7.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2476 4.3788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7165 3.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5416 3.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5512 -0.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3650 -2.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0154 2.8223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8655 0.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1916 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8605 -1.8165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7177 -2.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 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 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END