MMs03080828 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 1.0906 -1.0299 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4778 -1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3638 -3.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9061 -3.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1192 -2.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4879 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9392 0.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3365 2.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7878 2.6213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8418 1.5540 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6903 0.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9091 2.6080 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5091 3.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8551 3.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8645 5.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4090 2.5986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1509 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3928 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6508 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3927 -0.0182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8927 -0.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6345 -1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4090 2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8075 3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9285 4.9506 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2228 4.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9017 2.7272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5969 4.7940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4445 0.1076 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9932 -0.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2825 3.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6798 4.7559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 0.8725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8725 0.8239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4119 -0.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 -0.4490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 -1.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5633 -3.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 -4.2855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3095 -4.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 -3.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 -1.7386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -2.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2931 0.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3908 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0155 3.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5915 -1.9248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2280 -2.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6775 -0.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6353 4.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5633 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7298 5.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0059 -0.9537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4935 -1.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8312 2.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 3.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 2 1 M END