MMs00037488 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 61 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 0.7449 1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 1.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2551 -1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7551 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0176 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5058 -1.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4941 1.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 -1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0101 -2.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2550 -1.2668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2550 -1.2550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5101 -2.5570 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9101 -3.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0101 -2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2652 -3.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7651 -3.8472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5202 -5.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2753 -6.4511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0753 -6.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7753 -6.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5304 -7.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7855 -9.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2855 -9.0492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5304 -7.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0304 -7.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7550 -1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5101 -2.5453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4999 0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6039 -0.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1409 2.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8408 2.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8591 -2.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1591 -2.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 1.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1260 0.4383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8707 0.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2037 1.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2869 1.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6259 0.4559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8841 -2.9777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2231 -3.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3203 -5.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5623 -5.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9013 -6.0304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4466 -6.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4526 -8.5091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9147 -9.4493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5817 -10.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6895 -10.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3707 0.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7037 1.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9999 0.0587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5958 1.1002 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 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 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 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 19 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 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 58 1 0 0 0 0 58 59 1 0 0 0 0 M END