REMARK  Name = BDB021283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.026  -0.354  -0.152  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        1.282   0.409   0.793  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.095   0.333   0.707  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.607   1.092   1.733  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.492   1.624   2.368  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.754  -0.447  -0.260  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.064  -1.176  -1.093  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.658   1.200   1.782  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.312  -1.107  -1.017  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.579  -0.892   0.905  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        6.312  -0.548  -0.172  0.00  0.00    -0.218 NA
ATOM     12  C   LIG    1        5.628  -0.115  -1.258  0.00  0.00    +0.160 A 
ATOM     13  C   LIG    1        4.242  -0.018  -1.335  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1        3.507  -0.405  -0.201  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        4.197  -0.840   0.939  0.00  0.00    +0.079 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.622  -1.324   1.959  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1        6.202  -1.340   2.052  0.00  0.00    -0.480 OA
ENDBRANCH  10  17
BRANCH  13  18
ATOM     18  O   LIG    1        3.537   0.427  -2.419  0.00  0.00    -0.493 OA
ATOM     19  C   LIG    1        4.283   0.891  -3.538  0.00  0.00    +0.277 C 
ENDBRANCH  13  18
ENDBRANCH   1  14
BRANCH   5  20
ATOM     20  C   LIG    1        0.492   2.494   3.504  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        0.445   3.201   4.425  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.131  -0.476  -0.325  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.378  -1.253  -0.941  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.842   0.706  -0.809  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.311   0.413  -0.926  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.100   0.060   0.166  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.730  -0.168   1.584  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.128  -0.221   2.202  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.085  -0.566   1.176  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.454  -0.214   0.011  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.085  -0.152  -1.214  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.320   0.216  -2.320  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.955   0.495  -2.168  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.253   0.842  -3.257  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7