MMs01286552 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 52 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 -1.2958 -0.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2892 -2.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 -3.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8873 -2.2670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8938 -0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6046 1.4886 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 -0.0227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4919 -0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4853 -2.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0899 -0.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3922 -0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3988 1.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6880 -0.8010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.8394 -1.6495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8382 -2.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3041 -2.6117 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -14.5041 -2.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0597 -1.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0609 -0.1969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.3792 1.2689 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.9133 1.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.8450 0.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6975 2.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1261 3.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4443 4.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3340 5.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9054 5.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5871 3.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6523 7.1323 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -13.9082 -3.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0131 -3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 -1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0366 0.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5797 -4.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2013 1.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0268 0.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5695 0.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6383 -2.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7076 -3.4863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0275 -2.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8666 -0.4277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0143 2.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5872 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0171 6.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4443 3.3775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1986 -4.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 33 50 1 0 0 0 0 M END