MMs02589842 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 42 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 -0.7521 -1.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4959 -2.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2479 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7147 -1.6168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 -0.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8691 -3.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4978 -3.7168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1669 -3.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4672 -3.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8365 -3.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1461 -5.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8420 -2.6121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0940 -1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7063 0.0575 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6263 -1.6214 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3335 -2.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9414 -4.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4330 -4.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3166 -3.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7086 -1.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 -1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8081 -3.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6917 -2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0838 -0.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 1.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9521 -1.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6058 -3.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1016 1.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 -5.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2346 -5.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9193 -5.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4155 -0.7486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7308 -0.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4755 -4.4017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8858 -3.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1832 -2.1957 0.0000 O 0 5 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 18 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 19 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 27 2 0 0 0 0 26 39 1 0 0 0 0 M CHG 1 39 -1 M END