MMs01685208 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2464 1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7464 1.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 -1.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2536 -1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7463 1.3179 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3463 0.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9927 2.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2391 3.9118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2463 1.3221 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9927 2.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3788 3.9918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4907 4.9986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7918 4.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4841 2.7841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4909 1.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0313 0.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0381 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5045 -0.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9640 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9572 1.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4303 1.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4372 0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0033 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0033 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6435 2.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3435 2.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3565 -2.3261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6565 -2.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7949 -1.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1287 -0.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8867 4.7434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8582 -0.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6705 -2.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3099 -1.4411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3248 3.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5476 -0.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2426 -0.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3267 0.8858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 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 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 3 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 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 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END