MMs02622146 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 63 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 1.2942 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2847 -2.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5789 -3.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8827 -2.2748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2056 1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9114 2.2251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 3.7251 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 3.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4209 3.7155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9305 5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2343 5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 7.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9497 8.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 7.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 5.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9592 9.7249 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 2.2085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8036 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1074 2.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4017 1.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0883 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6863 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 -0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9997 1.4171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2843 -0.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5881 -0.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8824 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5977 1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5693 -4.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6066 1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 0.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 -1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2416 -2.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2314 -0.6398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2697 5.3601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2869 8.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 8.0899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5933 5.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5171 3.4085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1151 3.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4447 2.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0806 -2.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7510 -0.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9091 -1.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4518 -1.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6274 0.5006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2757 -1.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9177 -1.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4890 0.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7977 1.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6054 2.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3977 1.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 -4.5088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5617 -5.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7693 -4.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 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 39 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 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 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 M END