MMs01284944 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 41 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 1.2968 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -2.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8949 -0.7614 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9341 -1.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2005 1.4848 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5017 2.2310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5410 2.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5061 3.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2093 4.4848 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9080 3.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2137 5.9848 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7986 1.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0910 -0.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3966 1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0998 2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8246 1.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7027 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8175 -0.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8905 -2.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1874 -3.0152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 1.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 0.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -1.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 1.1924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6033 -1.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3785 0.1898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6873 3.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 4.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7532 -0.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0875 -1.9765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1033 3.4234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5968 1.5133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5921 -0.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5893 -3.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5858 -4.2076 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END