MMs00327807 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 1.5000 0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 -1.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7533 -1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7467 1.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2467 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 2.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7533 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2533 -1.2780 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6533 -2.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 -2.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5066 -2.5713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3852 -1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0696 0.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6418 0.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1817 1.1174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9292 2.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6095 0.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7216 1.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9251 -0.8089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8129 -1.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8167 -3.3155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3913 -3.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9314 -5.2104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 -5.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5099 -7.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9376 -7.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8162 -6.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3528 -1.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0031 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6559 -2.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3559 -2.3272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 2.3493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5311 3.2045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8907 3.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4557 1.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6267 -1.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9647 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8800 -2.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2180 -3.7564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2536 -4.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3129 -5.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3161 -7.0551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2634 -8.3519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4523 -8.7349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9784 -8.2348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7059 -5.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7100 -7.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9849 -2.4110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4951 -1.6367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7208 -0.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3973 1.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 23 2 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 M END