MMs01041685 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 48 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 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2589 -1.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7589 -1.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7588 -1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 -2.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5178 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2587 -1.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 0.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0177 -2.5360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5176 -2.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4077 -3.7331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8310 -3.2598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2608 -3.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1341 -2.4939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2440 -1.2865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8207 -1.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3909 -1.3061 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.7341 -5.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7381 -6.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2114 -7.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6808 -7.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6768 -6.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2034 -5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1541 -9.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6234 -9.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 1.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 0.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 1.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5927 1.0847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6249 -3.5918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -3.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4248 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5626 -6.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4146 -8.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8522 -7.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0002 -4.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3820 -10.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7989 -9.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8648 -8.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M END