MMs02837855 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 57 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 1.3041 -0.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9123 -2.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1859 1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 2.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7839 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5001 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 -0.6883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4643 -0.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7662 1.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4755 -1.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7344 -2.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 -2.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1572 -3.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3537 -3.8471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.9662 -1.0099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8561 -2.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3468 -2.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2367 -3.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6359 -4.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1452 -4.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2553 -3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5258 -5.8400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.7333 -4.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3182 -6.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9063 -6.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7962 -8.0881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2869 -7.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8877 -6.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9978 -5.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5071 -5.5062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5929 1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0433 0.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5929 -1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -1.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -1.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1426 2.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4716 3.4940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8190 2.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 -1.9059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4468 0.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8274 -0.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4292 -3.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6645 -5.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0628 -3.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9988 -8.8872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0802 -6.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4785 -4.2397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4156 -7.0475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9350 -8.1470 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 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 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 11 2 0 0 0 0 7 8 2 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 53 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 34 2 0 0 0 0 33 51 1 0 0 0 0 34 35 1 0 0 0 0 34 52 1 0 0 0 0 53 54 1 0 0 0 0 M END