REMARK  Name = BDB021312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.560  -3.003  -0.097  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        0.610  -2.315  -0.303  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        0.251  -1.065  -0.549  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1       -1.122  -0.926  -0.465  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -1.779   0.298  -0.664  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -1.095   1.359  -0.987  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.276   1.230  -1.083  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.010   0.108  -0.884  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.647  -2.171  -0.203  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.446   0.118  -1.012  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.318  -0.860  -0.581  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1        4.572  -0.438  -0.912  0.00  0.00    -0.271 N 
ATOM     13  N   LIG    1        4.587   0.759  -1.526  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1        3.295   1.091  -1.592  0.00  0.00    +0.143 A 
BRANCH  12  15
ATOM     15  C   LIG    1        5.816  -1.145  -0.672  0.00  0.00    +0.149 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.439  -0.792   0.671  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        7.686  -1.606   0.966  0.00  0.00    +0.165 C 
ATOM     18  O   LIG    1        8.450  -0.851   1.916  0.00  0.00    -0.379 OA
ATOM     19  C   LIG    1        7.945   0.492   1.942  0.00  0.00    +0.160 C 
ATOM     20  C   LIG    1        6.979   0.620   0.782  0.00  0.00    +0.035 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   8  10
BRANCH   1  22
ATOM     21  N   LIG    1       -0.598  -5.546   0.410  0.00  0.00    -0.189 NA
ATOM     22  C   LIG    1       -0.567  -4.407   0.179  0.00  0.00    +0.121 C 
ENDBRANCH   1  22
BRANCH   5  23
ATOM     23  N   LIG    1       -3.147   0.385  -0.546  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.440   1.255  -0.987  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.745   0.329   0.785  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.238   0.290   0.659  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.013   1.438   0.530  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.625   2.869   0.563  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.931   3.494   0.070  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.017   2.574   0.323  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.396   1.356   0.416  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.068   0.150   0.420  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.309  -1.015   0.530  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.915  -0.938   0.643  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.218  -2.078   0.752  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   5  23
TORSDOF 7