MMs01258290 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 40 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 1.4995 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2828 -1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7782 -1.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1279 -2.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8487 -3.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7084 -2.6261 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 -5.1001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2054 -5.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4846 -5.0329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4459 -3.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7251 -2.7501 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 -3.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3223 -2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2835 -1.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6403 -3.3991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9195 -2.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8807 -1.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1599 -0.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4779 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5167 -2.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 -3.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2763 -4.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3150 -6.3309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1211 1.1666 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 1.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 -0.0310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -1.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2606 1.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6161 0.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5578 -0.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -7.0159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 -4.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8379 -4.3653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6713 -4.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8263 -0.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5013 -0.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5711 -3.1215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 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 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 24 3 0 0 0 0 M END