D04LBJ Wcorina 11010620293D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 37 38 0 0 0 999 V2000 -0.0160 1.3279 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1452 -0.6067 0.0098 C 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 1.2191 2.1363 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3267 -1.9814 0.0048 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5719 -2.4968 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3069 3.4787 0.0083 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5078 1.6709 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4587 3.8460 -0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4383 0.5883 0.0171 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 1.8849 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7673 -3.9768 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 2.8423 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5346 -1.7576 0.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 -4.7153 -0.0039 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0106 -4.4914 0.0177 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2215 -5.9006 -1.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7951 2.9198 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1249 -5.9388 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6031 -6.3337 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 -6.2217 -1.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1658 -5.7135 -2.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5573 -2.5721 -0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 0.6449 -0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4606 2.9432 0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1515 2.9399 -1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1154 3.8266 0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 2.0490 0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6496 -6.3372 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6331 -6.3458 0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0983 -5.8620 0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6891 -7.4169 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7387 -7.3026 -1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1479 -5.7477 -0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0381 -4.6325 -2.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6289 -6.1874 -3.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2257 -5.9584 -2.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 11 2 0 0 0 0 2 3 2 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 14 2 0 0 0 0 7 9 1 0 0 0 0 8 13 1 0 0 0 0 8 24 1 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 11 25 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M END $$$$