MMs01082504 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 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 -0.7518 -1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2482 1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7482 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2482 1.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7482 1.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7518 -1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2518 -1.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7481 1.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7518 -1.2852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2518 -1.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0000 0.0170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.0037 -2.5811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.5037 -2.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2518 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7518 -1.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5037 -2.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7555 -3.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2555 -3.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0037 -2.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7555 -3.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2555 -3.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.0073 -5.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2592 -6.4665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.7592 -6.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0074 -5.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1533 -2.3381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8533 -2.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8467 2.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 2.3385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6467 2.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3467 2.3487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3533 -2.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6533 -2.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1533 -2.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4051 -3.6211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6504 -0.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3504 -0.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3570 -4.9131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6570 -4.9170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7936 -1.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1307 -2.1605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.8540 -2.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.2073 -5.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1607 -7.5087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8074 -5.1723 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 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 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 M END