REMARK Name = BDB050193 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.163 -2.761 -0.422 0.00 0.00 +0.178 A ATOM 2 C LIG 1 0.045 -3.180 -1.006 0.00 0.00 +0.168 A ATOM 3 C LIG 1 1.200 -2.300 -1.013 0.00 0.00 +0.158 A ATOM 4 N LIG 1 2.209 -2.928 -1.633 0.00 0.00 -0.047 NA ATOM 5 O LIG 1 1.713 -4.163 -2.005 0.00 0.00 -0.241 OA ATOM 6 C LIG 1 1.187 -1.008 -0.434 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -0.081 -0.638 0.099 0.00 0.00 +0.050 A ATOM 8 N LIG 1 0.391 -4.314 -1.632 0.00 0.00 -0.046 NA ATOM 9 C LIG 1 -1.261 -1.446 0.100 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 O LIG 1 -3.345 -3.275 -0.848 0.00 0.00 -0.126 OA ATOM 11 N LIG 1 -2.260 -3.688 -0.412 0.00 0.00 +0.061 N ATOM 12 O LIG 1 -2.062 -4.813 0.064 0.00 0.00 -0.126 OA ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 2.304 -0.159 -0.450 0.00 0.00 -0.313 N ATOM 14 H LIG 1 3.092 -0.573 -0.950 0.00 0.00 +0.152 HD BRANCH 13 15 ATOM 15 C LIG 1 2.727 0.838 0.451 0.00 0.00 +0.032 A ATOM 16 C LIG 1 2.249 0.948 1.763 0.00 0.00 +0.026 A ATOM 17 C LIG 1 2.686 1.979 2.601 0.00 0.00 +0.040 A ATOM 18 C LIG 1 3.601 2.908 2.125 0.00 0.00 +0.124 A ATOM 19 F LIG 1 4.018 3.896 2.928 0.00 0.00 -0.205 F ATOM 20 C LIG 1 4.090 2.824 0.830 0.00 0.00 +0.040 A ATOM 21 C LIG 1 3.653 1.791 -0.003 0.00 0.00 +0.026 A ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 9 22 ATOM 22 N LIG 1 -2.443 -1.006 0.705 0.00 0.00 -0.342 N ATOM 23 H LIG 1 -3.283 -1.501 0.386 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -2.743 0.371 1.091 0.00 0.00 +0.104 C BRANCH 24 25 ATOM 25 C LIG 1 -3.434 1.149 -0.024 0.00 0.00 +0.046 C BRANCH 25 26 ATOM 26 C LIG 1 -2.512 1.536 -1.169 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 O LIG 1 -3.230 2.376 -2.065 0.00 0.00 -0.395 OA ATOM 28 H LIG 1 -2.632 2.591 -2.801 0.00 0.00 +0.209 HD ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 9 22 TORSDOF 8