MMs01431931 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 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 0.0007 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3001 -2.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5988 -1.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 0.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1968 -1.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8981 -2.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8988 -3.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1982 -4.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8961 2.2518 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -2.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4541 -3.7424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9212 -4.0550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6859 -5.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1187 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6718 -2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6686 -1.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1328 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6001 0.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6033 -1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1392 -2.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5291 -3.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0718 -3.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 0.6007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2351 0.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2363 -2.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5987 -5.5371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2377 -5.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 -3.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 0.6774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9715 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7772 -0.7698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9417 -3.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END