MMs00886194 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 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 0.7475 -1.3005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 -1.3034 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2446 -2.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2504 0.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7475 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7475 -1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 -2.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 -2.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2475 -1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 -2.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2525 1.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7525 1.2745 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5050 2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8975 3.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4718 4.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1628 5.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2794 6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7051 6.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0141 4.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3117 4.1927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4089 4.6786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9971 2.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9986 1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4664 1.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4680 0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0017 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5339 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5323 0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0033 -1.7405 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 0.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 1.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0404 -0.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0431 -1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -3.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0331 -3.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 1.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6020 1.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 -3.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 -3.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4020 1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2893 -1.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6268 -0.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1256 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4631 2.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5785 3.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0222 6.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0322 8.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5984 7.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8394 3.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6422 1.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1609 -2.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3581 -0.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 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 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 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 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 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 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 56 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 M END