REMARK  Name = BDB021071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.503   3.822  -3.088  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.422   3.172  -2.263  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.788   2.099  -1.458  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.738   1.566  -0.588  0.00  0.00    +0.163 C 
ATOM      5  C   LIG    1       -1.141   0.291   0.069  0.00  0.00    +0.064 A 
ATOM      6  N   LIG    1       -2.382  -0.284  -0.090  0.00  0.00    -0.328 N 
ATOM      7  C   LIG    1       -2.452  -1.409   0.698  0.00  0.00    +0.114 A 
ATOM      8  N   LIG    1       -1.320  -1.558   1.359  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -3.386   0.289  -0.961  0.00  0.00    +0.142 C 
ATOM     10  C   LIG    1       -0.492  -0.537   0.963  0.00  0.00    +0.094 A 
ATOM     11  C   LIG    1       -3.174   1.791  -1.097  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1       -0.265   3.587  -2.326  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1        0.845  -0.370   1.499  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        1.941  -0.127   0.656  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.232   0.025   1.209  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        4.549   0.268   0.728  0.00  0.00    +0.103 A 
ATOM     17  N   LIG    1        5.439   0.383   1.722  0.00  0.00    -0.170 NA
ATOM     18  N   LIG    1        4.712   0.160   2.830  0.00  0.00    -0.266 N 
ATOM     19  C   LIG    1        5.361   0.175   4.119  0.00  0.00    +0.173 C 
ATOM     20  C   LIG    1        3.377  -0.058   2.594  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        2.304  -0.319   3.456  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        1.040  -0.483   2.880  0.00  0.00    +0.012 A 
BRANCH  16  23
ATOM     23  C   LIG    1        4.951   0.406  -0.668  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        6.022   1.111  -1.173  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        5.990   0.926  -2.522  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        6.904   1.474  -3.494  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        4.983   0.131  -2.934  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        4.359  -0.193  -1.795  0.00  0.00    +0.144 A 
ENDBRANCH  16  23
ENDBRANCH  10  13
BRANCH   7  29
ATOM     29  C   LIG    1       -3.614  -2.353   0.829  0.00  0.00    +0.059 C 
ATOM     30  C   LIG    1       -4.796  -1.737   1.589  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -6.129  -2.286   1.094  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -6.018  -3.679   0.836  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -5.166  -3.992  -0.267  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -4.050  -2.975  -0.496  0.00  0.00    +0.039 C 
ENDBRANCH   7  29
TORSDOF 3