MMs02585010 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 0.7405 -1.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 -1.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2403 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4808 -2.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9809 -2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7403 -1.3485 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9403 -1.3485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4808 -2.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -3.9465 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4617 -5.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 -3.9355 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4998 -0.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9927 0.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3153 1.5558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4151 2.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0218 2.3153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 2.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8998 1.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4349 1.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9882 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5142 -2.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5097 -3.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9792 -3.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4532 -1.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4577 -0.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9316 0.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 0.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5924 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0436 -0.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4076 1.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1075 1.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 -3.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3733 -3.6548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4056 -1.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3943 -3.4311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3386 -2.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1305 -4.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7756 -4.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6287 -1.6112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1072 0.9340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 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 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 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 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 29 43 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END