MMs01259448 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 1.2928 -0.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6104 1.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9156 2.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2084 1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8908 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8784 -2.2822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 -3.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1093 -4.5842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6092 -4.5966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0845 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5149 -2.7222 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6213 -3.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0517 -3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1580 -4.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3757 -1.8188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8060 -1.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1300 0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5604 0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6668 -0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3428 -1.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9124 -2.3799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0972 -0.0119 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.0237 1.1104 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6086 1.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0342 0.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6086 -1.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5762 2.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9255 3.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2525 2.0483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2302 -0.6516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5194 -2.7735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6696 -4.4660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1759 -4.7992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4906 -1.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8196 1.7209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2279 -2.7385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 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 26 1 0 0 0 0 21 22 1 0 0 0 0 21 38 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 39 1 0 0 0 0 M END