MMs03080829 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 -0.6630 -1.3455 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7642 -2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1358 -3.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -3.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6459 -2.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5398 -0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0322 -0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9089 0.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4013 0.7872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0170 -0.5806 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6170 -1.6198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3848 0.0351 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.2333 0.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7691 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3010 2.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7874 -0.4968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9492 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7086 1.9325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3518 -0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5137 0.8688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.2730 2.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4349 3.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5925 -1.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5361 -2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2225 -3.9592 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.7031 -3.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9317 -2.2360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.7681 -4.7748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1403 -1.7977 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6478 -1.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2932 2.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 2.4565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5382 -0.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5304 1.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0764 0.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4825 -1.4027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7953 -2.9779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -4.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8706 -4.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3698 -4.7492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5487 -3.6588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8826 -1.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 -2.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4591 0.3932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8658 1.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9799 -1.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6759 4.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3643 4.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1938 2.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3501 -2.4425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9259 -4.4596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4622 -5.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4847 -1.9420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7364 -2.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 3.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6774 4.6172 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 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 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 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 2 1 M END