REMARK  Name = BDB061828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.961  -0.124  -1.860  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1       -1.752  -1.088  -1.629  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -1.148   0.879  -1.379  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1       -1.451   2.067  -1.413  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.140   0.456  -0.762  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        0.770  -0.744  -1.125  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        1.981  -1.081  -0.502  0.00  0.00    +0.090 A 
ATOM      8  N   LIG    1        2.764  -2.194  -0.685  0.00  0.00    -0.236 NA
ATOM      9  C   LIG    1        3.785  -2.033   0.126  0.00  0.00    +0.200 A 
ATOM     10  N   LIG    1        3.696  -0.860   0.826  0.00  0.00    -0.326 N 
ATOM     11  C   LIG    1        2.537  -0.225   0.446  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        1.936   0.983   0.816  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        0.727   1.306   0.188  0.00  0.00    +0.015 A 
BRANCH  10  14
ATOM     14  C   LIG    1        4.649  -0.420   1.830  0.00  0.00    +0.158 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.909   0.122   1.204  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1        5.914   1.379   0.581  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1        7.083   1.865   0.003  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        7.075   3.068  -0.585  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        8.257   1.123   0.027  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        8.265  -0.127   0.640  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        7.097  -0.626   1.226  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  C   LIG    1       -3.281   0.158  -2.371  0.00  0.00    +0.140 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -6.226  -0.020   0.806  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -5.789  -1.199   0.198  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1       -4.832  -1.185  -0.835  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -4.319   0.054  -1.275  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1       -4.753   1.233  -0.644  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -5.700   1.197   0.384  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -4.380  -2.491  -1.444  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1       -4.877  -3.595  -0.820  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -3.023  -2.638  -1.422  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -4.744  -2.610  -2.751  0.00  0.00    -0.166 F 
ENDBRANCH  25  29
BRANCH  23  34
ATOM     33  C   LIG    1       -7.636   0.974   2.441  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -7.154  -0.198   1.793  0.00  0.00    -0.495 OA
ENDBRANCH  23  34
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 7