MMs02457588 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 54 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 -1.5000 -0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2544 1.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5088 2.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0088 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2456 1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9912 2.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0153 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9000 -1.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2456 1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7456 1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4911 2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7367 3.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2544 -1.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5088 -2.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7544 1.2863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7544 1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2544 1.2710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2455 -1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7456 -1.3219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9911 -2.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2367 -3.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4911 -2.6337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0876 -3.6749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2455 -1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4999 -0.0356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.7455 -1.3423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5088 2.5828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7632 3.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6035 -1.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 -1.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1123 3.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5877 3.6393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 -1.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1165 1.7234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4499 2.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5412 0.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8746 0.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -0.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7043 -1.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1579 2.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3490 -0.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3420 -2.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9911 2.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7544 -1.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3579 -2.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5876 3.6699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 49 1 0 0 0 0 16 17 2 0 0 0 0 16 50 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 31 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 33 34 2 0 0 0 0 49 52 1 0 0 0 0 50 51 1 0 0 0 0 M END