MMs01366516 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.3462 -0.6617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8925 -4.3166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7405 -5.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2558 -5.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6713 -6.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1136 -7.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3711 -7.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 -6.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7949 -6.5697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1622 -5.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5547 -4.5577 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7339 -5.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1263 -4.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3396 -3.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3055 -5.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6980 -5.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8772 -6.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2697 -5.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4830 -4.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3038 -3.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9113 -3.8118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8755 -3.6235 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 1.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0769 0.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5293 -1.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2532 -2.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -3.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1267 -1.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9855 -2.9490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1904 -3.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8591 -6.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8553 -8.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8173 -8.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8396 -6.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1349 -7.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7066 -7.4114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2131 -6.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4744 -2.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 13 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 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 M END