REMARK  Name = BDB008532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.359   2.758   1.058  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        1.219   2.375   0.099  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.097   1.144  -0.419  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.165   0.271  -0.030  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -0.675   0.634   0.947  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1       -0.607   1.887   1.520  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -0.755   4.840   1.470  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1        0.467   4.049   1.626  0.00  0.00    -0.321 N 
ATOM      9  C   LIG    1        1.686   4.752   1.223  0.00  0.00    +0.130 C 
ENDBRANCH   1   8
BRANCH   3  10
ATOM     10  N   LIG    1        2.010   0.842  -1.427  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        2.613   1.638  -1.569  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1        2.320  -0.324  -2.135  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.232  -0.237  -3.201  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        3.562  -1.356  -3.972  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        2.977  -2.587  -3.695  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        2.063  -2.694  -2.651  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        1.737  -1.570  -1.883  0.00  0.00    +0.023 A 
ENDBRANCH  10  12
ENDBRANCH   3  10
BRANCH   5  18
ATOM     18  N   LIG    1       -1.680  -0.251   1.413  0.00  0.00    -0.299 N 
ATOM     19  H   LIG    1       -1.644  -0.295   2.435  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.044  -1.516   0.883  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -2.513  -2.565   1.707  0.00  0.00    +0.080 A 
ATOM     22  C   LIG    1       -2.922  -3.785   1.134  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -2.885  -3.974  -0.246  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.450  -2.942  -1.067  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.046  -1.727  -0.508  0.00  0.00    +0.024 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -2.602  -2.492   3.192  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1       -3.065  -3.352   3.920  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -2.097  -1.360   3.726  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -2.221  -1.507   4.690  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 7