REMARK  Name = BDB041107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.013   0.825  -1.190  0.00  0.00    +0.165 A 
ATOM      2  C   LIG    1       -2.287   1.296  -2.477  0.00  0.00    +0.178 A 
ATOM      3  C   LIG    1       -3.554   1.808  -2.664  0.00  0.00    +0.162 A 
ATOM      4  N   LIG    1       -4.487   1.883  -1.695  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -4.112   1.437  -0.483  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -2.916   0.896  -0.193  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -5.116   1.477   0.583  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -5.061   2.341   1.705  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -6.082   2.243   2.680  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -7.140   1.345   2.551  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -7.208   0.517   1.441  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.208   0.585   0.472  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.980   3.389   1.969  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -3.581   4.251   0.769  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -2.755   2.779   2.652  0.00  0.00    +0.012 C 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1       -0.717   0.345  -0.911  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -0.374  -0.174  -1.716  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -0.591  -0.396   0.333  0.00  0.00    +0.138 C 
BRANCH  18  22
ATOM     19  C   LIG    1        3.436  -1.970   0.572  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        3.188  -0.613   0.791  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        1.889  -0.105   0.718  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        0.812  -0.953   0.430  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        1.065  -2.312   0.203  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        2.369  -2.818   0.276  0.00  0.00    +0.046 A 
BRANCH  19  25
ATOM     25  O   LIG    1        4.751  -2.332   0.673  0.00  0.00    -0.490 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.069  -3.708   0.440  0.00  0.00    +0.257 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.578  -3.893   0.594  0.00  0.00    +0.200 C 
BRANCH  27  28
ATOM     28  O   LIG    1        7.244  -3.375  -0.563  0.00  0.00    -0.377 OA
BRANCH  28  30
ATOM     29  C   LIG    1        9.285  -2.871  -1.689  0.00  0.00    +0.034 C 
ATOM     30  C   LIG    1        8.661  -3.419  -0.422  0.00  0.00    +0.156 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH  18  22
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   2  31
ATOM     31  O   LIG    1       -1.308   1.174  -3.424  0.00  0.00    -0.490 OA
ATOM     32  C   LIG    1       -1.548   1.809  -4.674  0.00  0.00    +0.277 C 
ENDBRANCH   2  31
TORSDOF 11