MMs03829436 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 59 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 1.5000 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 -1.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7547 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 1.2909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7546 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2546 1.2692 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6546 2.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0093 2.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5093 2.5602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 1.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2640 3.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5187 5.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7640 3.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5187 5.1474 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.0187 5.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7733 6.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0280 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7827 9.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2827 9.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0280 7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2733 6.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0186 5.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5186 5.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2733 6.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5280 7.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6415 -2.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3415 -2.3540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3584 2.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6285 1.6892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9673 2.4557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8832 2.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2220 3.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1766 2.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1711 0.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6261 -0.4524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2873 -1.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5513 2.6701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8901 3.4366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8060 3.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1448 4.7275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8280 7.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1865 10.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8865 10.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4149 4.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1149 4.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4733 6.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1318 8.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 17 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 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 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 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 M END