MMs00683649 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 -1.4999 0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2392 1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4785 2.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7607 1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7821 3.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1737 5.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7219 6.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5964 4.6094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 3.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7903 2.2178 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1537 2.6577 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8172 5.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1824 4.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3269 3.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4031 5.7313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7684 5.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9129 3.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2781 2.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4989 3.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3544 5.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9891 5.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5751 6.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9404 5.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2178 3.9155 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5914 -1.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1085 -1.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4392 1.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9606 1.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1907 4.9349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 6.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4964 6.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2876 6.9257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9363 2.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3937 1.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5911 3.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8735 7.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4306 7.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4072 8.4222 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 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 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 33 1 0 0 0 0 15 34 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 35 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 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 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 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 40 41 1 0 0 0 0 M END