MMs02589839 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 42 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 0.7405 -1.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 -2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2405 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2404 -1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -2.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7404 -1.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6132 -2.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1393 -3.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0431 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2502 -3.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6249 -2.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9475 -0.9403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1510 -0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4403 -0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3308 0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8214 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4215 -1.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5311 -2.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0405 -2.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9185 -3.1646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0540 -0.6149 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6309 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1777 1.2889 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 0.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5924 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0436 -0.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4075 1.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 1.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0734 -3.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3735 -3.6547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1161 -4.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8507 1.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5338 1.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6140 -1.2637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0112 -3.4365 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 2 0 0 0 0 2 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 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 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 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M END