MMs00874667 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 -0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 -1.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0231 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9942 -1.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0057 1.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2549 1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7549 1.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 -0.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5099 2.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0099 2.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2449 -1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7449 -1.3366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4899 -2.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7349 -3.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2349 -3.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4899 -2.6270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4799 -5.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2249 -6.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4799 -5.2366 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.9899 -2.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 2.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 2.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -2.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1289 1.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4679 2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0053 1.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2099 2.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0146 3.7518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 -7.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8209 -7.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2664 -5.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9853 -3.8443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1899 -2.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9945 -1.4443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END