MMs01686398 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.2941 0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 2.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8921 0.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2059 -1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 -2.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8039 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4901 0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0882 0.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0783 2.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.0680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6862 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8332 2.3193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9362 3.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2984 2.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0398 3.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5398 3.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2983 2.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5568 1.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0568 1.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0605 0.2254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0353 -0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6068 -1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2549 1.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4843 2.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2764 3.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0843 2.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8327 -0.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3754 -0.8972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 -2.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5176 -3.4074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8470 -2.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4823 1.9925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3999 -1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4330 4.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1330 4.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4983 2.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1636 0.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 37 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 38 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 M END