REMARK  Name = BDB062182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.119   0.194  -1.314  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1       -0.722   0.147  -1.102  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        0.033  -0.314  -0.011  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        1.374   0.054  -0.234  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        2.348  -0.241   0.754  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1        1.979  -0.929   1.915  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.668  -1.349   2.089  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        1.438   0.632  -1.528  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.312  -1.061   1.135  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.174   0.613  -2.055  0.00  0.00    +0.095 A 
ATOM     11  O   LIG    1       -2.529   0.309  -2.467  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.716   0.172   0.536  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        4.808  -0.673   0.476  0.00  0.00    +0.146 A 
ATOM     14  N   LIG    1        5.888   0.130   0.241  0.00  0.00    -0.273 N 
ATOM     15  H   LIG    1        6.860  -0.147   0.129  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1        5.580   1.433   0.144  0.00  0.00    -0.181 NA
ATOM     17  C   LIG    1        4.257   1.458   0.321  0.00  0.00    +0.143 A 
BRANCH  13  18
ATOM     18  C   LIG    1        4.981  -2.127   0.591  0.00  0.00    +0.434 C 
ATOM     19  F   LIG    1        4.173  -2.814  -0.250  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        6.256  -2.495   0.300  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        4.730  -2.567   1.848  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH   5  12
BRANCH   1  23
ATOM     22  N   LIG    1       -3.988  -0.907  -0.062  0.00  0.00    -0.257 N 
ATOM     23  C   LIG    1       -3.011   0.230  -0.089  0.00  0.00    +0.173 C 
ATOM     24  C   LIG    1       -3.904   1.482  -0.124  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -5.152   1.027  -0.856  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -5.353  -0.393  -0.359  0.00  0.00    +0.117 C 
BRANCH  22  28
ATOM     27  N   LIG    1       -3.341  -3.314  -0.114  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1       -3.657  -2.202  -0.100  0.00  0.00    +0.170 C 
ENDBRANCH  22  28
ENDBRANCH   1  23
TORSDOF 4