MMs01334793 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 63 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 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 1.2963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5032 2.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7516 1.2945 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7498 -0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 2.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2516 1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0032 2.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5032 2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2516 1.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2484 -1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4968 -2.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7484 -1.3109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4968 -2.6109 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0968 -3.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7452 -3.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9968 -2.6127 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1968 -2.6127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7452 -3.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2368 -4.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5469 -5.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2469 -6.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1335 -5.2823 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2404 -1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5540 0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2559 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1400 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7516 1.2871 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2902 -1.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6271 -0.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6313 3.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2962 3.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 3.7981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1968 2.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 1.9981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 3.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1044 3.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3987 -1.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3497 -0.2724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7067 -3.3078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1440 -4.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7837 -4.5103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0409 -3.1805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6426 -6.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1201 -7.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4336 -1.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2389 -2.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6949 -0.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0435 1.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9624 2.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3651 1.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4358 1.0281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 -0.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7484 -1.3146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 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 43 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 61 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 M END