MMs03080794 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 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 -1.3485 0.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -0.4226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6851 -1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -1.4855 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -3.0952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6097 2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0195 2.6463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2807 4.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6904 4.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9516 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 7.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4611 3.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7223 4.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9487 2.5864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0973 3.5511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4079 2.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 3.4211 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7508 3.7317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7217 4.9154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 5.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2626 6.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8703 5.8802 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 4.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9055 7.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0189 6.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5564 2.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0335 2.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9982 1.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4753 1.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4859 -0.0247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0593 0.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5391 -3.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6705 -4.0897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8983 3.4539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8904 4.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 1.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8099 8.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5174 1.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9674 1.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -0.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2576 -0.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3614 6.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5704 7.8069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 43 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 37 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 38 1 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 41 1 0 0 0 0 31 42 1 0 0 0 0 43 44 1 0 0 0 0 M END