REMARK  Name = BDB008564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.050  -0.145   0.066  0.00  0.00    -0.331 N 
ATOM      2  C   LIG    1        1.638   0.738  -0.897  0.00  0.00    +0.144 A 
ATOM      3  C   LIG    1        0.289   0.998  -0.680  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -0.313   1.903  -1.566  0.00  0.00    +0.136 A 
ATOM      5  C   LIG    1        0.436   2.468  -2.588  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        1.769   2.112  -2.687  0.00  0.00    +0.116 A 
ATOM      7  F   LIG    1       -1.602   2.242  -1.432  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.130   0.222   0.452  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.420   1.256  -1.867  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1        1.002  -0.453   0.895  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.522   0.183   1.044  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -1.496   0.128   2.578  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.354  -0.916   0.483  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -3.748  -0.936   0.695  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -4.378  -1.996   0.791  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -4.504   0.414   0.723  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -5.746   0.321   1.448  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -6.863   0.122   0.579  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -7.032   1.331  -0.359  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -5.768   1.889  -0.884  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -5.524   2.692  -0.301  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.694   0.889  -0.739  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -1.707  -2.209   0.283  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -0.899  -2.499  -0.962  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -2.204  -3.192  -0.755  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  26
ATOM     26  C   LIG    1        3.397  -0.680   0.179  0.00  0.00    +0.123 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.325   0.268   0.937  0.00  0.00    +0.024 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.730  -0.298   1.136  0.00  0.00    +0.030 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.520  -0.438  -0.165  0.00  0.00    +0.159 C 
BRANCH  29  31
ATOM     30  C   LIG    1        8.774  -0.026   0.469  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        7.809  -0.996   0.085  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9