MMs01041649 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 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 0.7597 -1.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2596 -1.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 -2.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 -2.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2595 -1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7595 -1.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 0.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5192 -2.5421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0191 -2.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9098 -3.7379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3329 -3.2637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7629 -3.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6355 -2.4965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7448 -1.2896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3217 -1.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -1.3109 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2370 -5.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7065 -5.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1807 -6.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6502 -7.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1243 -8.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1290 -9.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6595 -9.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1853 -7.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0347 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6077 1.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0347 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -3.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 -3.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0921 1.0772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3922 1.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9269 -3.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -5.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2041 -6.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4465 -6.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2999 -8.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5083 -10.8484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8632 -10.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0097 -7.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 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 17 18 2 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 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 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END