MMs01398788 MOE2007 2D CORINA 3.40 0006 02.08.2006 36 39 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 -0.7423 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5154 -2.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2577 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7576 -1.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6465 -2.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0703 -2.0131 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0614 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6321 -0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3115 1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8822 1.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4203 2.4176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8496 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1702 0.4972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1639 3.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9584 2.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3877 2.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4964 3.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9257 3.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2463 1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 0.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7082 1.0524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2731 -3.8837 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6061 1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9423 -1.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5784 -3.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0938 1.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2824 -3.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0084 3.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5154 4.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 4.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8127 3.8812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3897 1.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3940 -0.5750 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 16 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 17 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 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 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 M END