MMs00036533 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 67 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 0.7514 -1.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 -1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0028 -2.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5028 -2.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2514 -1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7514 -1.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7514 -1.2887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0028 -2.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5028 -2.5901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7541 -3.8868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2541 -3.8852 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6541 -4.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1345 -2.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5616 -3.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5632 -4.6327 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.6024 -4.0327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1371 -5.0978 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2886 -5.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1387 -6.5978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5658 -7.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4462 -5.8453 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.2947 -4.9968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9461 -5.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6975 -7.1420 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.3993 -7.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9958 -6.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4489 -8.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7003 -9.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4517 -11.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9517 -11.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7003 -9.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9489 -8.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6975 -7.1388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1975 -7.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9489 -8.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2003 -9.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 0.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 1.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 -0.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4039 -3.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1039 -3.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0989 1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3989 1.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8989 1.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5989 1.0494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1552 -4.9266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0947 -2.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6214 -1.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0788 -8.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6056 -7.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5450 -4.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5003 -9.7413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8528 -12.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5528 -12.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7964 -6.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1489 -8.4342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8014 -10.7739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 46 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 8 48 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 49 1 0 0 0 0 11 12 1 0 0 0 0 11 50 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 16 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 32 33 2 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 34 35 2 0 0 0 0 34 58 1 0 0 0 0 35 36 1 0 0 0 0 35 59 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 60 1 0 0 0 0 40 41 1 0 0 0 0 40 61 1 0 0 0 0 41 62 1 0 0 0 0 M END