MMs01048445 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 47 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 1.4738 0.2793 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1632 -0.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2973 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4340 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1547 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7387 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 1.6357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 2.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1717 4.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1066 2.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4219 2.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3887 3.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8499 -0.0392 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3549 -1.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3450 1.3768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2659 -0.5342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4026 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8185 -0.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9552 0.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6759 2.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2600 2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 1.9183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8126 3.3808 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2234 1.1790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -0.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2234 -1.1790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6566 -1.5319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2496 -1.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5207 -1.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 2.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5153 3.6037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1066 4.1843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 1.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 2.0812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9533 4.8812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5655 3.9974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4893 -1.7132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0420 -1.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0880 0.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0366 4.0761 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 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 M END