REMARK  Name = BDB020999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.322   1.124  -1.066  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1        1.058   0.927  -0.869  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        1.885  -0.111  -0.355  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        3.196   0.316  -0.414  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1        3.197   1.584  -0.951  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1        4.364   2.398  -1.196  0.00  0.00    +0.151 C 
ATOM      7  C   LIG    1        1.907   1.969  -1.233  0.00  0.00    +0.142 A 
ATOM      8  N   LIG    1        1.544   3.154  -1.770  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        0.213   3.275  -1.964  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1       -0.742   2.325  -1.640  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -4.603   3.433   1.938  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.848   1.994   2.318  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -4.038   1.032   1.725  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -2.819   1.380   0.988  0.00  0.00    +0.163 C 
ATOM     15  C   LIG    1       -2.314   0.234   0.191  0.00  0.00    +0.064 A 
ATOM     16  N   LIG    1       -2.870  -1.021   0.251  0.00  0.00    -0.328 N 
ATOM     17  C   LIG    1       -2.152  -1.853  -0.556  0.00  0.00    +0.114 A 
ATOM     18  N   LIG    1       -1.153  -1.212  -1.119  0.00  0.00    -0.232 NA
ATOM     19  C   LIG    1       -4.023  -1.347   1.058  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -1.249   0.088  -0.679  0.00  0.00    +0.095 A 
ATOM     21  C   LIG    1       -4.155  -0.350   2.202  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -5.747   1.709   3.109  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -2.435  -3.362  -0.793  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.309  -3.911  -2.190  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.665  -3.765  -1.565  0.00  0.00    +0.012 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   4  26
ATOM     26  C   LIG    1        4.438  -0.509   0.047  0.00  0.00    +0.109 A 
ATOM     27  N   LIG    1        5.685  -0.032  -0.029  0.00  0.00    -0.170 NA
ATOM     28  N   LIG    1        6.445  -1.031   0.453  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        7.877  -0.864   0.516  0.00  0.00    +0.172 C 
ATOM     30  C   LIG    1        5.729  -2.124   0.837  0.00  0.00    +0.108 A 
ATOM     31  C   LIG    1        4.413  -1.816   0.584  0.00  0.00    +0.051 A 
ENDBRANCH   4  26
TORSDOF 3