MMs03855814 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 61 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 0.7387 -1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0225 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2387 -1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0260 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5999 -1.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 -0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 1.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2385 -1.3445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7385 -1.3575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1385 -2.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4997 -0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7384 -1.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9771 -2.6760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1771 -2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4772 -2.6630 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0772 -3.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -3.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7159 -3.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7609 1.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0222 2.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2608 1.2015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0221 2.4940 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6221 1.4548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2833 3.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7834 3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0446 5.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5220 2.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2832 3.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0224 2.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0444 0.5910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 1.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 -0.5910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4613 -1.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0565 -1.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6315 -3.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0115 -3.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -2.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 -1.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6296 -2.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9087 0.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6643 -0.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6509 -2.1628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3069 -4.9999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9158 -3.9919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8518 0.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6833 4.8387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7938 5.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5835 3.8229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7730 2.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0786 4.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6536 6.1260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0106 5.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 1.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6314 3.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 3.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2607 1.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2612 1.2795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 1.2899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4607 1.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 59 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 59 1 0 0 0 0 58 61 1 0 0 0 0 59 60 1 0 0 0 0 M END