MMs00038282 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 63 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 0.7432 -1.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2432 -1.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9864 -2.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4864 -2.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2432 -1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7432 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7431 -1.3497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9864 -2.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4864 -2.6371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7296 -3.9478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2296 -3.9556 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6296 -4.9948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1176 -2.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5417 -3.2176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5339 -4.7176 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5731 -4.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1049 -5.1737 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2564 -6.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0971 -6.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5213 -7.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4093 -5.9357 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.7198 -7.0948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6525 -7.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1525 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9092 -5.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4092 -5.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1524 -7.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3957 -8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8957 -8.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1389 -9.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8821 -11.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5946 1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 -0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -3.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -3.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1053 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4054 1.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9053 1.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6053 0.9893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1242 -4.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0815 -2.1413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6113 -1.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0275 -8.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5574 -7.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8547 -8.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5227 -7.6509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3146 -4.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0146 -4.9308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3524 -7.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2903 -9.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9092 -5.9435 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.7070 -4.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0390 -5.5389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 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 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 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 57 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 57 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 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 33 2 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 56 1 0 0 0 0 35 36 3 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 M CHG 1 57 1 M END