MMs01836885 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0215 0.0000 O 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 -2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1712 -3.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4764 -2.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4888 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9191 -0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7908 -1.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8991 -2.7789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2605 -3.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2838 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1554 -2.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9052 -0.0630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 1.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5405 1.0133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3982 0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0196 1.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3843 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1341 2.9564 0.0000 C 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 0.5139 -1.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0565 -1.6863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8342 -2.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1613 -4.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2059 1.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3046 -1.1149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5601 -0.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8577 1.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1132 2.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4077 -0.3269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0816 -0.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3609 1.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2262 2.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6312 4.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0419 3.4535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5127 1.5912 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.7127 1.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 42 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 42 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END