MMs03131142 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 68 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 -1.2959 0.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2896 2.2554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 2.2446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3022 0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 3.0108 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7370 3.8593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9584 2.4064 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1099 1.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9574 3.5253 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5574 4.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 4.8212 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3535 5.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7361 4.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8064 6.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9197 7.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4032 8.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4499 3.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0657 2.0070 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.6979 1.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4334 2.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6506 1.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0184 2.3620 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.0184 1.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3241 3.8305 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.6347 4.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8153 3.9935 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -14.0153 3.9935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4311 2.6257 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -13.7417 1.4666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3205 1.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.8996 2.3200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.0101 3.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3123 2.5837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.0065 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5154 0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9110 -0.4206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.9982 -2.4353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7977 -1.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2888 -1.4675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.8932 -0.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3843 0.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.1933 -3.0033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.5598 5.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9555 6.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3158 4.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6819 6.0838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2764 0.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 0.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3376 0.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5931 -1.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 0.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8041 5.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6364 7.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7909 0.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3258 0.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8797 4.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9027 -3.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0004 -3.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6815 0.6392 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 55 1 0 0 0 0 8 56 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 51 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 64 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 34 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 49 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 47 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 36 37 2 0 0 0 0 36 61 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 44 1 0 0 0 0 39 40 1 0 0 0 0 40 42 2 0 0 0 0 41 43 1 0 0 0 0 42 43 1 0 0 0 0 42 46 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 46 62 1 0 0 0 0 46 63 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 64 -1 M END