MMs01219776 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 58 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 1.3911 0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5726 -0.3629 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5726 0.8371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0147 0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5285 1.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8528 -1.1942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9287 -2.3758 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0802 -3.2243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5195 -1.8620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3414 -3.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7967 -4.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2094 -5.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 -6.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7116 -6.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2989 -4.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8436 -4.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3519 -1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1475 0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6465 -0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4421 1.2428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7385 2.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9411 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7367 2.4613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6446 -0.1351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1437 -0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9392 1.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8472 -1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4489 1.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 -0.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4489 -1.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7557 1.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 1.3637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6307 -3.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3736 -5.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 -7.8558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8775 -7.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1345 -3.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 -4.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5527 -5.6969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1018 -2.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4643 -1.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0351 0.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3976 1.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3964 -1.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7589 -0.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7984 3.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1757 3.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6787 2.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0082 -1.1524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3437 -0.1882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9566 0.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5757 2.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9219 1.7198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7874 -2.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4100 -2.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9070 -0.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 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 16 17 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 M END