MMs01727648 MOE2007 2D CORINA 3.40 0006 02.08.2006 77 79 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 1.5000 -0.0037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9000 -1.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2532 1.2934 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0532 1.2934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 3.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7597 3.8878 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1597 4.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5065 2.5869 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1065 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7532 1.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 2.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7532 1.2822 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3532 2.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0150 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4000 -1.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7467 -1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2467 -1.3196 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6467 -2.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0224 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6000 1.0168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2532 1.2785 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6532 0.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0064 2.5756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2064 2.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2467 -1.3271 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8467 -0.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7467 -1.3308 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9467 -1.3308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4935 -2.6317 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3420 -3.4802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7402 -3.9289 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2403 -3.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4935 -2.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7365 -5.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0374 -4.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7467 -1.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 -0.0336 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0030 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5853 1.8253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5891 3.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1331 4.3047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 5.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6181 -1.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 -2.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3430 -4.5163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1116 -4.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1365 -5.4274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7335 -6.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9365 -5.4319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0344 -5.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7844 -1.9409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3493 -0.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7090 -0.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9935 -2.6355 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.7822 -3.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1201 -3.0487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9935 -2.6205 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.9528 -3.2179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5909 -3.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0342 -2.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0112 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5030 1.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -1.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5129 5.1849 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5507 4.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 6.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4752 5.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2468 -1.3046 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2060 -1.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 -2.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -0.7072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 74 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 70 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 66 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 62 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 36 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 40 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 59 1 0 0 0 0 34 35 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 35 50 1 0 0 0 0 35 51 1 0 0 0 0 37 52 1 0 0 0 0 37 53 1 0 0 0 0 37 54 1 0 0 0 0 38 55 1 0 0 0 0 39 56 1 0 0 0 0 39 57 1 0 0 0 0 39 58 1 0 0 0 0 39 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 62 65 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 66 69 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 70 73 1 0 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 74 77 1 0 0 0 0 M CHG 1 40 -1 M CHG 1 59 1 M CHG 1 62 1 M CHG 1 66 1 M CHG 1 70 1 M CHG 1 74 1 M END