MMs01053228 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 40 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 -0.5242 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 -2.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6282 -3.8302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0336 -3.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9694 -1.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2838 -4.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1911 -5.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4413 -6.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7842 -5.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8769 -4.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6267 -3.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2199 -3.6272 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 -2.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 -4.0499 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9955 -4.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9284 -2.9395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 -6.4887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3338 -3.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 -4.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8244 -5.3643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5352 -5.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8652 -5.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9295 -3.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6638 -2.7701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -0.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4194 1.1243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 0.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1168 -6.1666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3671 -7.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7844 -6.4557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7009 -2.2689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6457 -1.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9474 -2.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4838 -6.9662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8778 -5.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9935 -3.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 M END