MMs02071353 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 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 1.5000 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 1.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7419 1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 2.6258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9838 2.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7419 1.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7258 3.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1073 5.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2158 6.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 5.5738 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2166 4.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2272 2.9962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6924 3.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1471 4.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7030 2.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2483 0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2588 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7241 -0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1788 1.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1683 2.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7347 -1.1169 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.2799 -2.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1999 -0.7960 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0498 7.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 5.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0074 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -1.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 -0.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8775 3.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8634 1.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0761 0.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8951 -1.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3510 1.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5320 3.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2424 7.9394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9170 8.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8571 7.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8804 6.7833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4629 5.8503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3959 4.4327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END