D0C2KF Wcorina 11010620303D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 28 29 0 1 0 999 V2000 -0.0215 1.7317 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 2.4387 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.8209 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2292 2.4062 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2505 3.7926 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 4.5026 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0538 5.8639 0.0339 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2727 6.5059 0.4239 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4321 5.8269 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4465 4.4420 0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 7.9882 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0921 8.6249 0.7368 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 10.1145 0.2484 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 11.1929 0.5401 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 10.4667 1.1233 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5872 10.0455 -1.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 1.9099 -0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 4.3706 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1564 1.8524 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4142 6.4035 1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 6.2921 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 5.9232 -1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 8.0857 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1474 8.4731 0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 8.1738 1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 12.1178 0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 10.8996 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 6 2 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 2 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 M END $$$$