MMs02477742 MOE2007 2D CORINA 3.40 0006 02.08.2006 80 85 0 0 1 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 1.3038 -0.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9019 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4999 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7844 1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4806 2.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1864 1.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0786 2.3085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3824 1.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6766 2.3253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9804 1.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4197 -0.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2935 0.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4040 2.0564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8583 3.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.7069 2.6374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2819 3.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2722 5.4586 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.2722 6.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8427 5.9129 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.6427 5.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9689 4.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3700 7.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9008 7.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4281 9.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9589 9.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4862 10.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4827 11.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9519 11.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4246 10.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0100 13.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4801 6.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8543 5.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0621 6.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4363 6.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6027 4.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3949 3.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0207 4.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9770 3.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6959 -0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.0669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7056 -2.1746 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5933 1.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0431 0.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 -1.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5384 -1.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0811 -1.6559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8208 0.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3634 0.9409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1365 -1.6491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6791 -1.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5076 -1.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8371 -0.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4728 3.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1433 2.1267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0709 3.5085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7978 -1.5095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4935 0.8563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5390 2.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4745 4.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5572 7.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4042 8.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1617 8.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3108 11.0304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7491 12.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6000 9.9417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 13.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6318 14.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8711 12.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9290 7.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4026 6.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5280 2.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0544 3.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4959 2.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0763 3.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4580 5.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 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