MMs01444095 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 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 1.2958 -0.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6045 1.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9068 2.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 1.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8938 -0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5048 2.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8006 1.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1029 2.2108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3987 1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5490 -0.0372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4983 -1.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0149 -0.3554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7705 0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7716 2.0594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2629 1.0908 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.1394 -0.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6318 0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5083 -1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0007 -1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6167 0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7403 1.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2478 1.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1092 0.4749 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 0.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 -1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5679 2.0933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 3.4332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2327 -0.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8887 -1.9668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 3.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2801 3.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1080 3.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0586 -0.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4652 -1.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0155 -2.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7019 -2.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2331 2.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5467 2.3654 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 1 0 0 0 0 9 35 1 0 0 0 0 9 36 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 37 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 16 17 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 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 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 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 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 42 1 0 0 0 0 26 43 1 0 0 0 0 M END