MMs01346053 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 61 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 1.4625 -0.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5464 -1.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5336 -2.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8797 -0.1151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5918 0.6539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4569 2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2588 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4593 -0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8384 0.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0171 1.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8166 2.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 1.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 -3.0004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0143 -4.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2164 -2.9784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2384 -4.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -1.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7162 -2.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4471 -1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9469 -1.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7159 -2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -4.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4852 -4.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7543 -5.5542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6778 -0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9088 0.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1776 -0.2926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9085 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4083 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2721 2.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7054 1.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7273 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3077 -0.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 1.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 0.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -0.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 2.2557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 3.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2618 2.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3164 -1.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 -0.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1204 2.1267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9595 3.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4771 2.6837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9664 -4.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -5.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0623 -3.7256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8319 -0.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9158 -2.8948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6002 -5.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7928 -1.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0995 2.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8846 3.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6657 2.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7084 -0.3678 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 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 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 8 39 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 M END