MMs03081746 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 60 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 0.7447 1.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2447 1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 -1.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7553 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 -1.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7552 -1.2717 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1552 -2.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0105 -2.5616 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2105 -2.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7552 -1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2552 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9999 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4999 0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7657 -3.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2657 -3.8515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0210 -5.1596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5299 -5.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2239 -6.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5260 -7.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6366 -6.5275 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9472 -7.6866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1051 -6.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1043 -5.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1405 2.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8405 2.3498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8595 -2.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 -2.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6259 0.4332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1293 -1.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4684 -2.4587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6259 -0.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9588 -0.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0516 -2.4360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3845 -1.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8706 0.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2035 1.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2963 -1.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6292 -0.3511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -4.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 -5.2019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -6.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7403 -7.8892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8246 -8.5093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4210 -8.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7447 1.3264 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5105 -2.5676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9147 -3.6093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2446 1.3568 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.2863 0.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8404 2.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2030 1.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5744 -8.2581 0.0000 O 0 5 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 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 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 53 1 0 0 0 0 11 12 2 0 0 0 0 11 52 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 53 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 55 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 25 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 59 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 M CHG 1 52 -1 M CHG 1 55 1 M CHG 1 59 -1 M END