D0XC1F Wcorina 11010620233D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 28 30 0 0 0 999 V2000 -0.5703 2.0616 -1.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5463 2.0482 1.2704 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 1.6520 0.0111 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4124 -0.4589 -0.0139 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 2.3144 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 3.4657 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2843 3.3673 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8202 1.0765 -0.0286 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 2.4324 0.9704 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6794 2.1253 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3160 4.7942 -0.0129 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6378 5.8059 -0.0006 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5312 4.8757 -0.0241 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6389 -1.1050 1.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8066 -0.7006 2.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9835 -1.2075 3.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9936 -2.1197 4.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8262 -2.5242 3.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6452 -2.0206 1.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 -2.8132 5.8995 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5057 2.3846 -0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6796 4.2621 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 0.1823 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0182 0.0119 2.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3335 -0.8912 4.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6152 -3.2361 3.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2952 -2.3363 1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 4 9 2 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 23 1 0 0 0 0 8 10 2 0 0 0 0 8 24 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 M CHG 2 12 1 13 -1 M END $$$$