REMARK  Name = BDB020971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.551  -1.363   1.087  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        1.492  -0.419   0.650  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        2.700  -0.234   1.357  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        3.835   0.618   1.262  0.00  0.00    +0.103 A 
ATOM      5  N   LIG    1        4.761   0.328   2.185  0.00  0.00    -0.170 NA
ATOM      6  N   LIG    1        4.206  -0.673   2.893  0.00  0.00    -0.266 N 
ATOM      7  C   LIG    1        4.930  -1.242   4.004  0.00  0.00    +0.173 C 
ATOM      8  C   LIG    1        2.963  -1.053   2.453  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        2.063  -2.029   2.898  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        0.856  -2.160   2.199  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -3.447   3.410  -2.338  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -2.268   2.730  -1.690  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -2.461   1.441  -1.205  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -1.336   0.862  -0.468  0.00  0.00    +0.163 C 
ATOM     15  C   LIG    1       -1.498  -0.598  -0.234  0.00  0.00    +0.064 A 
ATOM     16  N   LIG    1       -2.618  -1.287  -0.633  0.00  0.00    -0.328 N 
ATOM     17  C   LIG    1       -2.495  -2.587  -0.245  0.00  0.00    +0.114 A 
ATOM     18  N   LIG    1       -1.368  -2.775   0.401  0.00  0.00    -0.232 NA
ATOM     19  C   LIG    1       -3.727  -0.674  -1.328  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -0.726  -1.552   0.412  0.00  0.00    +0.094 A 
ATOM     21  C   LIG    1       -3.775   0.818  -1.020  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -1.183   3.308  -1.617  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -3.523  -3.722  -0.513  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.667  -4.827   0.502  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.757  -3.808   0.347  0.00  0.00    +0.012 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   4  26
ATOM     26  C   LIG    1        4.014   1.705   0.304  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        3.086   2.421  -0.418  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        3.796   3.334  -1.143  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        3.263   4.320  -2.051  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        5.126   3.265  -0.942  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.253   2.279  -0.045  0.00  0.00    +0.144 A 
ENDBRANCH   4  26
TORSDOF 3