MMs01789756 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 38 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 0.0334 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4662 -1.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0668 -2.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -1.4662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -0.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4752 1.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7535 -0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4744 1.1980 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9741 1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7528 -0.0507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2524 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9733 1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2517 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5308 -1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0312 -1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7513 0.0828 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6950 2.5467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9163 3.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 5.1108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 0.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0267 1.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 -0.0134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4796 -0.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6659 -1.5597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4529 -2.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5331 -3.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 -4.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 -2.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -2.4919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5715 -1.3036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -0.5027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 2.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0497 2.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1538 -2.2916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4544 -2.3517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8947 2.5734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 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 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 3 0 0 0 0 M END