MMs02388588 MOE2007 2D CORINA 3.40 0006 02.08.2006 71 75 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 1.4773 0.2600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2173 1.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1921 2.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4521 3.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6973 4.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1067 4.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 2.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7761 2.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9254 3.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 0.7103 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4454 0.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7054 -1.2805 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5560 -2.2443 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7075 -3.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1467 -1.7308 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9876 -1.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8867 -0.2535 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5761 0.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9973 -2.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 -3.7216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1266 -4.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2254 -4.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3748 -3.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1148 -1.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2642 -0.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7842 -3.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0442 -5.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9335 -2.8209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4854 -5.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9267 -6.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 -4.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4558 0.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9558 0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7054 -1.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7063 1.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2063 1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9558 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4558 0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2063 1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4567 2.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9567 2.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2071 3.9142 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.2054 -1.2829 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5948 1.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2561 5.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9638 -1.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 1.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1818 -0.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -1.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1116 1.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5796 4.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 5.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8698 -2.2838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0610 -3.2317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7255 -1.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6129 -6.1231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7448 -6.3707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1346 -7.3445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1085 -5.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6681 -3.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1298 -3.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 -5.2994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1066 2.3561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3555 -1.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4063 1.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0570 3.6535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8846 1.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0481 6.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -4.6854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 51 1 0 0 0 0 5 6 1 0 0 0 0 5 52 1 0 0 0 0 6 7 2 0 0 0 0 6 53 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 68 1 0 0 0 0 12 13 1 0 0 0 0 12 45 2 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 71 1 0 0 0 0 23 24 2 0 0 0 0 23 30 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 71 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 71 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 37 38 1 0 0 0 0 37 42 2 0 0 0 0 38 39 2 0 0 0 0 38 65 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 40 41 2 0 0 0 0 40 66 1 0 0 0 0 41 42 1 0 0 0 0 41 67 1 0 0 0 0 42 43 1 0 0 0 0 46 69 1 0 0 0 0 47 70 1 0 0 0 0 M END