MMs02813627 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 -1.3054 -0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5851 1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2797 2.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 1.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 2.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 3.7387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6108 1.4777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9163 2.2165 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9163 1.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9291 3.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2345 4.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2474 5.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 6.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2088 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9034 -0.7166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 0.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5014 -0.6943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5014 0.5057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5142 -2.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8197 -2.9331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1122 -2.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0994 -0.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3919 0.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3791 1.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6973 -0.6497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.7102 -2.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4176 -2.9108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.7314 -0.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0156 -2.8885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7939 0.0668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -0.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3157 -1.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6192 2.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2694 3.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6006 0.2777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7456 3.5182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5284 4.8476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6353 3.3242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4181 4.6535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9137 -1.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4168 0.9572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9594 0.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3307 -1.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1135 -3.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8300 -4.1330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0497 -2.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0259 -4.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7837 1.2668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5528 6.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5142 2.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5483 1.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5631 7.8940 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 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 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 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 38 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 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 52 1 0 0 0 0 16 17 2 0 0 0 0 16 53 1 0 0 0 0 18 19 1 0 0 0 0 18 43 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 22 1 0 0 0 0 20 33 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 33 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 31 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 M END