MMs01253395 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 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 -0.7581 1.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2581 1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2418 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7418 -1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2418 -1.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 1.2661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7580 1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9998 -0.0564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7580 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2579 1.2285 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.0161 2.5416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5161 2.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7743 3.8547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7742 3.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2742 3.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0323 5.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2905 6.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7905 6.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0324 5.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4544 -1.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2354 -2.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0274 -1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1647 2.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8646 2.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8353 -2.3561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1353 -2.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6646 2.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8677 2.7835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2323 5.1133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8970 7.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1971 7.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8324 5.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5537 -1.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0479 -2.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0327 -3.2567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4268 -3.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9342 -0.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4209 -2.5061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END