MMs01986605 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 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 0.7394 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 1.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 -1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2604 -1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7604 -1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7392 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2392 1.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 0.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7603 -1.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2602 -1.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9996 0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0208 -2.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5207 -2.4879 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9207 -3.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2601 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7601 -1.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6516 -2.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0744 -1.9018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0509 -2.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0621 -0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6318 0.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3080 1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4145 2.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8448 2.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1686 0.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2813 -3.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5419 -5.0859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1309 2.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8308 2.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -2.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1691 -2.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 -2.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3688 -2.2783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3307 2.3981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6308 2.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 -1.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9783 -2.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4293 -3.5443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1292 -0.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4589 0.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2901 -3.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1638 1.8762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1555 3.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7300 2.8858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3129 0.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7812 -3.7686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3897 -4.8029 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 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 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 47 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 25 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 52 1 0 0 0 0 52 53 1 0 0 0 0 M END