MMs00031151 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 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 0.7397 -1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7191 -3.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -3.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9793 -2.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 -1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 -1.3406 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8395 -2.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -2.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7395 -1.3525 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9395 -1.3525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -2.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 -0.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7601 1.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.0714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7600 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2600 1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9996 -0.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4996 -0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2599 1.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5202 2.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0202 2.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9587 -5.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0412 -5.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 -5.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3015 -6.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5618 -7.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 0.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 1.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -0.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.5885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8756 0.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2177 1.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 1.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 0.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2615 -3.8138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 -3.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4352 -3.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0709 -3.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 -2.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5915 -1.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6357 1.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9777 2.4017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3914 -1.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0913 -1.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4598 1.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1284 3.5253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4285 3.5468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9147 -5.8115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5504 -6.2637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0026 -4.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 -4.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6655 -4.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 -6.4652 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 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 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 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 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 M CHG 1 57 -1 M END