MMs02503058 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 1.5000 -0.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 1.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 2.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7572 1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0337 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3999 -1.0729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 -1.2522 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7233 -2.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 -0.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3123 0.7033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0018 1.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8884 1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5308 1.5781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8977 0.9603 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9369 0.3603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1161 1.8352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1554 2.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9677 3.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1862 4.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6009 3.9456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3824 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0155 3.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4830 1.2174 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 11.0461 -0.5323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4130 -1.1501 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.7798 -1.7679 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 6.4032 -2.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4006 -3.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8696 -3.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9291 -5.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9265 -6.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -0.4294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7017 -1.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5468 -1.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4980 -0.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4821 5.1397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0302 -7.1387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7244 -7.2370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8228 -5.5428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 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 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 26 27 2 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 42 1 0 0 0 0 33 43 1 0 0 0 0 33 44 1 0 0 0 0 M CHG 1 27 1 M CHG 1 28 -1 M END