REMARK  Name = BDB062519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.842  -0.233  -2.031  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.046  -0.202  -0.979  0.00  0.00    -0.279 N 
ATOM      3  H   LIG    1       -0.261  -0.627  -0.110  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.587   0.066  -3.192  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -3.525   0.089   1.739  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1       -2.645   0.147   0.717  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -2.879  -0.581  -0.494  0.00  0.00    +0.059 A 
ATOM      8  N   LIG    1       -4.081  -1.293  -0.592  0.00  0.00    -0.313 N 
ATOM      9  C   LIG    1       -4.171  -1.851  -1.864  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -3.008  -1.503  -2.535  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -4.982  -1.368   0.476  0.00  0.00    +0.092 A 
ATOM     12  C   LIG    1       -2.167  -0.747  -1.673  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1       -4.729  -0.721   1.624  0.00  0.00    +0.022 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.289  -2.639  -2.370  0.00  0.00    +0.177 C 
ATOM     15  O   LIG    1       -6.285  -2.925  -1.706  0.00  0.00    -0.291 OA
ATOM     16  C   LIG    1       -5.195  -3.124  -3.799  0.00  0.00    +0.093 C 
ENDBRANCH   9  14
BRANCH   5  18
ATOM     17  C   LIG    1       -4.204   2.060   3.156  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -3.309   0.835   3.033  0.00  0.00    +0.032 C 
ENDBRANCH   5  18
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1        1.378   0.266  -0.974  0.00  0.00    +0.070 A 
ATOM     20  C   LIG    1        2.097   0.119   0.223  0.00  0.00    +0.152 A 
ATOM     21  F   LIG    1        1.466  -0.458   1.262  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1        3.427   0.540   0.347  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        4.033   1.134  -0.771  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        3.332   1.312  -1.977  0.00  0.00    -0.020 A 
ATOM     25  C   LIG    1        2.004   0.863  -2.068  0.00  0.00    +0.032 A 
BRANCH  22  26
ATOM     26  C   LIG    1        4.154   0.373   1.598  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.529   0.332   1.725  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        5.791   0.161   3.054  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        7.088   0.060   3.678  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        4.685   0.082   3.812  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        3.692   0.208   2.926  0.00  0.00    +0.143 A 
ENDBRANCH  22  26
BRANCH  24  32
ATOM     32  C   LIG    1        3.983   1.924  -3.192  0.00  0.00    +0.191 C 
BRANCH  32  33
ATOM     33  O   LIG    1        5.093   2.736  -2.831  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1        5.417   3.141  -3.652  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  24  32
ENDBRANCH   2  19
TORSDOF 7