MMs03293268 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 41 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 1.2960 -0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9062 2.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 1.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5043 2.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1731 2.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4909 3.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1722 0.9540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4169 -0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0215 -1.7147 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9510 -0.0241 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6646 1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2803 2.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5414 -0.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9257 -1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8024 -2.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2948 -2.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9105 -1.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0338 0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4029 -1.0280 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.2796 -2.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0186 0.3398 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6042 1.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 0.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 -1.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8892 -1.9658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2329 -0.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9111 3.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 2.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5092 3.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7318 -1.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3099 -3.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9962 -3.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5263 1.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 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 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END