MMs01490339 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 50 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 0.7397 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5206 2.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2603 1.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7602 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5205 2.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9998 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7395 -1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9792 -2.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2394 -1.3646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9997 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4997 -0.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2393 -1.3884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.4790 -2.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9791 -2.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7393 -1.4003 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.7512 0.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7274 -2.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2392 -1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9995 -0.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4995 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2391 -1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4788 -2.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9789 -2.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7391 -1.4480 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2809 3.8791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6082 -1.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 1.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5711 3.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -1.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8008 1.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1307 0.3538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8754 0.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2175 1.1085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3007 1.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6305 0.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6034 -3.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2613 -3.8615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8482 -3.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1780 -3.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4078 0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1077 0.9033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0706 -3.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3706 -3.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6892 4.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 29 48 1 0 0 0 0 M END