MMs01255978 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 55 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 1.5000 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7537 1.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7463 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2463 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 -2.6023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5074 2.5938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1214 3.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0095 4.9692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2916 4.2229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 2.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9908 1.6430 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4571 1.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0045 -0.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9303 1.1632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9372 0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4777 -1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4846 -2.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9509 -2.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4104 -0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4035 0.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9578 -3.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4241 -2.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4983 -4.7121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5895 4.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 3.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0581 3.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5257 4.8854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5252 6.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0571 5.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0034 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0034 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0552 1.8071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -0.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -2.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 3.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 2.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2979 2.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3047 -1.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1170 -3.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5834 -0.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7711 1.5097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3038 -5.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3253 -4.9649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 2.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8585 2.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8993 7.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2567 6.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 28 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 40 1 0 0 0 0 15 41 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 42 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 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 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 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 M END