D09BSE Wcorina 10100417203D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 45 48 0 1 0 0 0 0 0999 V2000 0.0135 -3.0209 -2.8389 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0164 1.3553 0.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -0.0206 -2.3808 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6689 3.3101 3.8651 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0805 1.9538 6.1378 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6131 -4.1896 2.3045 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0414 -2.8507 2.5085 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0331 -2.1105 1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8755 -2.1078 3.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0172 -2.7921 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1514 -4.9329 1.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0231 -0.7139 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 -4.2927 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 -0.6682 3.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 0.0103 2.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -2.0824 -1.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6809 -4.9316 3.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 -0.6988 -1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 -0.0171 4.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3226 1.3496 2.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 2.0011 3.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0759 1.3153 4.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2479 2.0214 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0514 3.9506 2.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9805 -2.9465 2.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7467 -2.5858 4.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 -2.1519 3.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2155 -5.9584 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2036 -4.9409 1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8471 -4.6030 -0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9172 -4.6411 -0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 -5.0391 3.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1076 -5.9184 3.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 -4.3878 4.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7514 -0.5452 5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6211 1.8782 1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8669 0.1821 -2.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0905 3.0999 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8173 1.7313 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8003 1.7409 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 2.3835 6.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2204 3.9169 1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9112 3.4346 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3144 4.9889 2.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 19 1 0 0 0 0 3 38 1 0 0 0 0 4 22 1 0 0 0 0 4 25 1 0 0 0 0 5 23 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 14 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 21 2 0 0 0 0 16 19 1 0 0 0 0 17 19 2 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$