MMs03919351 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 -0.7473 1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5054 2.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 3.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2527 1.2943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 -1.3037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7419 3.8987 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4172 4.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 4.0586 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9227 2.8995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5421 5.5264 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5421 6.7264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 6.2737 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0824 6.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1289 5.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 7.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 8.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4179 9.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9112 6.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0341 7.3331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2393 2.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7059 3.2609 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.0208 1.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1725 3.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1785 2.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6451 2.7781 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.3345 1.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2523 4.1497 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.8523 5.1889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7444 3.9960 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.9444 3.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0593 2.5295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.0593 1.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7619 1.7768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4309 1.9222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.7284 2.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8452 1.6736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2380 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7459 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8667 -0.7597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.4622 -3.3777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4797 -2.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9718 -2.2824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.8509 -1.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3430 -1.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6005 -3.3441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.7458 5.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3726 6.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4996 5.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0974 6.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 -1.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9473 1.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4473 -1.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2789 7.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3695 8.9301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1622 1.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6303 1.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8513 3.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0909 -4.4393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4068 -3.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 4.7275 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 55 1 0 0 0 0 8 56 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 64 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 27 60 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 51 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 49 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 37 41 1 0 0 0 0 38 39 2 0 0 0 0 38 61 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 46 1 0 0 0 0 41 42 1 0 0 0 0 42 44 2 0 0 0 0 43 45 1 0 0 0 0 44 45 1 0 0 0 0 44 48 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 48 62 1 0 0 0 0 48 63 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 64 -1 M END