D0A6CS Wcorina 10100417223D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 42 43 0 0 0 0 0 0 0999 V2000 7.4811 8.8141 -0.0210 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0171 1.4118 0.0098 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3957 5.5982 0.0092 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9376 -1.9084 1.0846 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5801 -1.8922 -1.2092 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -0.1972 -2.2931 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -3.5083 -0.2264 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 -0.7724 1.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5183 0.1183 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3822 -1.2848 1.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0052 -0.7092 -1.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2803 2.0107 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1388 3.5341 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1498 -2.4111 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5279 4.1754 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5445 6.3247 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4898 7.7108 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7733 5.6810 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6585 8.4473 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9397 6.4212 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8829 7.8034 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1511 0.9714 2.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5334 -0.4545 3.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 0.4726 2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7257 -1.9269 0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3614 -1.8534 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0615 -0.4390 1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 1.6917 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 1.7013 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5851 3.8531 -0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6021 3.8436 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0646 3.8659 -0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0816 3.8564 0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.6729 -2.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -0.7039 -3.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 -3.8945 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 -3.8932 -1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5341 8.2139 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8181 4.6019 -0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6163 9.5265 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8965 5.9204 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 5 15 2 0 0 0 0 6 12 2 0 0 0 0 6 15 1 0 0 0 0 7 12 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 15 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$