MMs02448946 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 68 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 -0.7580 1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2419 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7419 -1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 -2.5887 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2741 -3.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7741 -3.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5321 -5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7902 -6.4718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2902 -6.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5322 -5.1868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 -7.7848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9974 -4.8472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1449 -3.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7709 -2.7529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4393 -2.5964 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4300 -1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7244 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0280 -1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3224 -0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3131 1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0094 1.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7151 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6074 1.9357 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.5981 3.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9111 1.1938 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1183 -5.8440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4289 -4.6848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 -7.3367 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9708 -8.5367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3448 -7.9383 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5040 -8.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3416 -6.8174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9416 -5.7781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5836 -5.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8343 -6.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4529 -8.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6658 -9.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6764 -8.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 2.5794 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2741 3.8831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 2.5701 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2000 0.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1645 2.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1999 -0.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8354 -2.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -3.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2318 -3.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3483 -7.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1547 -8.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2495 -1.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0126 0.0286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0355 -2.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3653 -0.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0020 3.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6721 1.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7432 -5.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9969 -6.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6471 -8.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7790 -10.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6839 -9.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 46 1 0 0 0 0 2 3 2 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 43 1 0 0 0 0 4 5 2 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 8 9 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 18 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 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 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 38 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 42 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 41 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 39 40 1 0 0 0 0 39 60 1 0 0 0 0 39 61 1 0 0 0 0 40 62 1 0 0 0 0 41 63 1 0 0 0 0 42 64 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 43 1 M CHG 1 45 -1 M END