D0PB6P Wcorina 11010620233D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 37 39 0 0 0 999 V2000 -0.0178 1.4628 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -0.6558 0.0087 N 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 1.4116 2.4803 0.0019 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1283 2.2086 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4327 3.9433 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9237 3.5997 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -2.0528 0.0278 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8143 5.2878 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0461 -2.7582 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3233 -0.7262 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1392 6.2831 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8891 4.6358 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4967 5.9510 0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -2.0339 0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0595 -3.9699 0.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2412 7.5887 0.0398 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4344 6.9368 0.0568 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7169 -1.0348 -1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 7.8554 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8041 6.5294 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1159 1.7716 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9724 -2.5181 -0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8623 5.5484 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0867 -0.0961 0.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 4.3895 0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1534 -1.8145 1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0757 -2.6593 0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8045 -0.1034 -2.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6733 -1.5576 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9532 -1.6633 -1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 7.4137 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0897 7.4232 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8102 8.9328 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 5.9415 -0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0057 5.9250 0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4454 7.4107 0.0615 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 5 2 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 6 9 1 0 0 0 0 6 7 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 12 2 0 0 0 0 9 24 1 0 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 11 25 1 0 0 0 0 12 17 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 18 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M END $$$$