MMs02429167 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 57 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 1.5000 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 -1.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2484 1.3019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0484 1.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 2.6037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 2.6056 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3967 3.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7484 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2484 1.3094 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0113 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2516 -1.2849 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8516 -2.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5033 -2.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0033 -2.5868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7516 -1.2830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7484 1.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 0.0188 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.2000 0.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7484 1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2484 1.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9967 2.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7451 3.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9935 5.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2132 -1.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 -2.3347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 -0.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8954 3.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6212 0.8957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9582 0.1260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2901 1.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6271 0.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3529 -2.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3484 2.3580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2499 0.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4484 1.3222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2468 2.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0352 3.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3954 3.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9582 2.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1529 -2.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0954 3.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2549 -3.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7516 -1.2793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9516 -1.2777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2451 3.9075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 2.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2967 2.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8438 4.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6562 -4.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 55 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 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 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 2 0 0 0 0 17 51 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 49 52 1 0 0 0 0 50 55 1 0 0 0 0 51 58 1 0 0 0 0 52 53 1 0 0 0 0 54 57 1 0 0 0 0 55 56 1 0 0 0 0 M END