MMs01454144 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 63 0 0 0 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 -0.7581 -1.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0163 -2.5980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4837 -2.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7418 -1.3226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2580 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7580 1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 -0.0659 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7745 -3.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0326 -5.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2744 -3.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0163 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5162 -2.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2744 -3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5325 -5.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0326 -5.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 -6.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2581 -1.2661 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5618 -2.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9543 -0.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9999 0.0377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2417 1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9836 2.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4835 2.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2417 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0354 -0.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6065 1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 0.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6725 -0.5172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6822 -2.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2679 -3.7879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 -3.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3352 -2.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3749 0.3892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7157 1.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1352 -2.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8351 -2.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8645 2.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1646 2.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4097 -1.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4743 -3.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 -6.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3337 -7.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 -7.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2478 -5.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3273 0.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3177 2.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8534 3.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1845 3.8187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1561 2.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1658 0.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2989 -1.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6300 -0.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 M END