MMs00838075 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 0.7610 -1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0221 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -1.2798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6610 -0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 -2.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 -2.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2609 -1.2543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9653 -1.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7608 -1.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5219 -2.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4997 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7387 1.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2387 1.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7329 2.4797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9642 0.3882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0875 -0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5101 -0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6333 -1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0559 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3552 0.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2320 1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8094 1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0341 0.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 1.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0341 -0.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -1.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0222 -2.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0664 -3.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3911 1.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1424 2.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1482 -1.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6598 -1.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3938 -2.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9544 -1.4441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4933 1.2015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4715 2.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9108 2.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2831 -3.8778 0.0000 O 0 5 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 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 43 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 1 43 -1 M END