MMs03133593 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 43 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 0.7580 -1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0184 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5999 1.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 1.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2579 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5159 -2.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7579 -1.2575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9579 -1.2575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5158 -2.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0158 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7738 -3.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2738 -3.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 0.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6064 1.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0355 -0.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -1.2944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0269 -2.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5776 -3.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0589 -3.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0568 -2.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 -1.6887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0935 1.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3907 -2.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7315 -3.7324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8002 -1.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1409 -2.1253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6487 -4.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9894 -5.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0581 -2.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3988 -3.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 2.6165 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.0317 -5.1223 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.9962 -5.7286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6381 -6.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0672 -4.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.0461 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5428 -0.5475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0935 1.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 0.6397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 M CHG 1 36 -1 M CHG 1 37 1 M CHG 1 41 1 M END