MMs00561593 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 -0.7434 1.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0132 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5132 2.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7566 1.2800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7434 -1.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7433 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2433 -1.3409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9867 -2.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4867 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2301 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7300 -3.9619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6179 -2.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0421 -3.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0345 -4.7236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6055 -5.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7565 1.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2565 1.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0131 2.5676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5131 2.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7698 3.8780 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2698 3.8856 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6053 -1.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9434 1.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5815 3.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0947 -1.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1380 -2.3695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8486 -0.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8570 -3.0485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1891 -3.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2843 -1.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6164 -2.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1003 -4.3589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4324 -5.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2528 -1.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0165 -2.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2289 -6.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6184 3.6037 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 27 1 0 0 0 0 2 3 2 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 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 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 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 M END