MMs01546586 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 1.3049 0.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9029 0.7192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1841 -1.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5009 0.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.0616 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0989 0.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2675 2.1687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7371 2.4689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4768 1.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4644 0.0572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7646 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 -2.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9423 -3.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9673 0.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5666 -0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0571 -0.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9483 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3491 2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8586 2.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4388 0.4897 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5918 1.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0439 -0.5918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5918 -1.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5409 1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0835 1.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8194 -0.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3621 -0.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 1.9192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 1.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2795 1.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8808 -0.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3925 -2.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0142 -1.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5259 -2.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7666 -4.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1825 -5.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1180 -3.6367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8536 -1.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5365 -1.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0621 2.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3792 3.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 17 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 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 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 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 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 43 1 0 0 0 0 22 44 1 0 0 0 0 M END