D0E3XG Wcorina 11010620243D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 55 59 0 0 0 999 V2000 -0.0463 0.8947 0.3164 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0483 -0.4826 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 -0.7769 0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8239 4.4464 5.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 0.3765 0.2553 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 4.6908 4.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 1.3718 0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4886 3.2756 5.5533 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 3.5592 3.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2848 5.4310 6.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7319 4.5993 5.4548 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4764 4.7512 5.6778 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4251 5.1554 6.3883 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7852 5.3263 6.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3248 2.7058 4.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5107 5.7171 7.2964 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9818 5.8056 7.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0575 -1.4349 0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2805 1.6840 0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1706 3.2176 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1023 -2.3604 0.4461 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 2.0546 1.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8281 -2.6271 0.6014 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1187 6.1895 4.0294 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.7903 1.5266 3.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3306 -0.9900 0.5563 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4576 1.2134 2.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5775 2.8277 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5628 5.6845 7.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9292 6.6362 8.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6362 3.2185 -1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0122 4.6966 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5324 6.5074 8.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7101 6.9835 9.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0709 5.0874 -2.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7127 6.2065 8.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1301 2.5908 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 1.0965 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 3.8694 1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 0.8628 4.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0269 -1.6563 0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8214 0.2958 2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8288 3.4361 0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5522 2.9938 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3594 5.3171 6.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8428 7.0081 8.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3849 2.6101 -1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6615 3.0524 -1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2635 5.3050 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9869 4.8627 -1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4157 6.7826 8.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6737 7.6272 9.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 4.4789 -3.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0962 4.9213 -3.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 6.1404 -3.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 21 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 14 1 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 28 1 0 0 0 0 8 15 1 0 0 0 0 9 20 1 0 0 0 0 9 15 2 0 0 0 0 10 17 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 29 1 0 0 0 0 15 25 1 0 0 0 0 16 36 1 0 0 0 0 17 30 1 0 0 0 0 18 23 2 0 0 0 0 18 26 1 0 0 0 0 19 22 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 22 27 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 31 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 33 2 0 0 0 0 29 45 1 0 0 0 0 30 34 2 0 0 0 0 30 46 1 0 0 0 0 31 32 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 32 35 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 M END $$$$