MMs03577898 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 1.4732 0.2821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5674 -0.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3804 -2.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 -0.0205 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8814 -1.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5993 1.4527 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 1.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 2.9537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1122 2.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9691 4.2153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4048 3.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4352 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0183 1.7887 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 -0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4702 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 1.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8278 -0.4392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4759 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3820 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5251 2.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0894 1.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2256 1.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1786 -0.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2256 -1.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3611 4.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4201 1.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 -1.6393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0852 -1.5092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9291 -1.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3696 -0.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9657 -1.1608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5027 -0.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2573 0.2999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2899 1.9055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5763 2.9307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0593 3.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8937 1.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8638 3.0960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 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 31 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END