MMs00856636 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 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 1.5000 -0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 1.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7429 -1.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 -2.6062 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7569 1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0140 2.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2569 1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1452 2.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5692 1.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8723 2.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1672 1.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1591 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8560 -0.2652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5611 0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1320 0.0360 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.4541 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4459 -1.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7409 -2.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0440 -1.7933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0521 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7572 0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6894 3.8921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0065 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0065 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6626 2.3293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3626 2.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3373 -2.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5943 -1.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8788 3.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2097 2.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4035 -2.3736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7344 -3.7363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0946 0.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7637 1.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4971 4.7795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5170 4.1480 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 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 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END