MMs00467887 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 64 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 -0.0074 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9000 1.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 -1.3101 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8436 -2.3493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4872 -2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 -2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7435 -1.3175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 1.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3999 1.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7563 1.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2563 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5999 -1.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2435 -1.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7435 -1.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 -0.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2563 1.2435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7563 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4998 -0.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5126 2.5315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1126 1.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7691 3.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0126 2.5241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7690 3.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2690 3.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0254 5.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7818 6.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0772 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5382 7.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4865 7.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2564 1.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6615 2.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0059 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3384 -2.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 1.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9705 2.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0538 2.4411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3859 1.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3691 -1.7557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0293 -2.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6139 -1.7372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9461 -2.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2857 -1.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6255 -0.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6614 2.2857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8112 4.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1742 4.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7269 3.2393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6075 1.4819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4720 4.6248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1134 5.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3797 6.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0564 7.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1434 8.7490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0201 8.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7891 7.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4503 7.7789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8814 6.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2308 -3.9082 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 64 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 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 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 1 64 -1 M END