MMs03075809 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 53 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 0.7581 -1.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0162 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 -1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0187 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5999 1.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 2.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 -1.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5161 -2.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7580 -1.2569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9580 -1.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5161 -2.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7742 -3.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 -5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7904 -6.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.0468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 0.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7579 -1.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 1.3599 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3417 2.3991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9836 2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7255 3.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 0.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 1.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0355 -0.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4419 -1.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0267 -2.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5773 -3.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0592 -3.1915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0571 -2.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3882 -1.6883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0934 1.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4305 -1.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4401 -3.3168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8502 -3.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8598 -4.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4467 -4.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4564 -5.9148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8664 -5.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 -7.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9550 -8.7902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8934 1.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0692 1.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0595 3.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1190 4.9934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8481 0.3338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7419 1.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5485 -7.7472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7485 -7.7397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2417 1.3693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8352 2.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 2.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 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 49 1 0 0 0 0 9 10 1 0 0 0 0 9 34 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 18 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 43 50 1 0 0 0 0 48 52 1 0 0 0 0 49 54 1 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 M END