MMs02398506 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 54 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 1.4999 0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -2.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7609 -1.2671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5219 -2.5597 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1219 -1.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -3.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 -5.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8051 -6.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5661 -7.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3051 -6.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5662 -7.7812 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8273 -9.0866 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 6.0219 -2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7608 -1.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7829 -3.8396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2828 -3.8268 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6828 -4.8661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0218 -2.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5217 -2.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2606 -1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4996 0.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7606 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4995 0.1148 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.2384 1.4201 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 9.0438 -5.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5438 -5.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 1.2926 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3610 2.3318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2184 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 -0.4200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2815 1.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 0.4327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 -0.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8572 -3.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 -4.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4567 -4.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4698 -5.9212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6963 -5.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -4.8839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8907 -2.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2201 -1.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3234 -3.6922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6528 -2.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3694 -2.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1779 2.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3049 -6.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 2.5725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0221 2.5980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6309 3.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2219 2.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9137 -7.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 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 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 52 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 49 52 1 0 0 0 0 50 55 1 0 0 0 0 51 54 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 13 1 M CHG 1 14 -1 M CHG 1 25 1 M CHG 1 26 -1 M END