MMs01568680 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 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 -0.0895 -1.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3535 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 -3.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5214 -3.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0693 -2.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7499 -1.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1274 -0.3055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6248 -0.2160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1726 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0138 -2.5649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1033 -4.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6243 -1.9900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.6771 -0.9215 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.5257 -0.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2783 0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1288 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5277 -2.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1817 -0.2307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6334 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0322 -2.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4839 -2.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5368 -1.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1379 0.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6862 0.4601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.9885 -1.7410 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 -0.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 1.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1979 0.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 -4.6837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1676 -4.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3012 -3.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1749 -5.2601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9055 -4.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1215 0.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9592 1.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4351 0.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8626 0.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1900 -2.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8030 -3.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9802 0.9373 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 M END