MMs02157682 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 -0.8657 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1442 2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 3.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5287 2.9928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 1.5048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8437 3.7143 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1222 5.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5652 2.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1588 4.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1915 5.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5066 6.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7890 5.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7563 4.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4412 3.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4085 2.1580 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.6909 1.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0934 1.4365 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8922 5.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3541 2.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1655 3.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5488 3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 4.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 5.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1703 6.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9763 5.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 5.7977 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7381 1.6615 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -0.6926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6926 -0.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 0.6926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1656 6.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5328 7.8566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8410 6.4560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7822 3.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2868 4.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6683 6.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0711 5.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0892 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4607 2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8495 3.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5088 6.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0189 7.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END