MMs00248528 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 1.3041 -0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3144 -2.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 -2.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2165 -2.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5104 -2.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5002 -0.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8145 -2.9467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1084 -2.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0982 -0.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4126 -2.9289 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3733 -3.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4228 -4.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7269 -5.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0208 -4.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0106 -2.9112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7064 -2.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3045 -2.1523 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5456 -0.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0633 -3.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5983 -1.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9025 -2.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1964 -1.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1861 0.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8820 0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5881 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4800 0.8831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6266 2.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0916 2.6978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8505 1.4039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8544 0.2824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5929 1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0433 0.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5929 -1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5898 1.2177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8773 -2.8304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2247 -4.1644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5353 -0.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1878 1.2355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8227 -4.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2396 -4.2286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0201 -5.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9619 -6.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5045 -6.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4389 -5.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2011 -4.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9288 -1.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4715 -1.2456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9107 -3.3345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2397 -1.9686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8738 2.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5448 0.6994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7294 3.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 M END