MMs00695331 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 43 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 -1.5000 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4828 2.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0172 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7586 1.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2242 3.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7241 3.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5978 5.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1248 6.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0274 4.6871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0373 3.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2566 2.3135 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6138 2.7142 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.2350 5.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6094 4.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7760 3.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8170 5.8655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1914 5.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3580 3.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7323 3.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9400 4.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7733 5.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3990 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8990 1.6820 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.6913 0.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2733 1.0810 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5931 -1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1068 -1.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4413 1.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 3.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9586 1.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 4.9472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3663 6.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8995 6.5761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6837 7.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3919 3.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0395 3.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7395 6.2649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2324 7.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1985 8.3566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 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 36 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 37 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 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 40 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END