REMARK  Name = BDB059459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.354  -0.104  -0.499  0.00  0.00    +0.130 A 
ATOM      2  N   LIG    1        0.387  -1.397  -1.079  0.00  0.00    -0.200 N 
ATOM      3  C   LIG    1       -0.782  -2.160  -1.171  0.00  0.00    +0.163 A 
ATOM      4  C   LIG    1       -0.436  -3.358  -1.764  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        0.942  -3.236  -2.018  0.00  0.00    +0.140 A 
ATOM      6  N   LIG    1       -1.990  -1.711  -0.727  0.00  0.00    -0.213 NA
ATOM      7  C   LIG    1       -2.068  -0.501  -0.220  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        1.444  -2.068  -1.627  0.00  0.00    -0.171 NA
ATOM      9  C   LIG    1       -0.841   0.371  -0.100  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -3.318  -0.045   0.218  0.00  0.00    -0.312 N 
ATOM     11  C   LIG    1       -3.629   1.389   0.410  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -5.067   1.713  -0.056  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -5.430   0.936  -1.319  0.00  0.00    +0.003 C 
ATOM     14  C   LIG    1       -5.297  -0.576  -1.113  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -4.489  -0.924   0.136  0.00  0.00    +0.107 C 
BRANCH  11  16
ATOM     16  C   LIG    1       -3.413   1.760   1.888  0.00  0.00    +0.050 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.493   3.257   2.155  0.00  0.00    +0.157 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.508   3.934   1.387  0.00  0.00    -0.395 OA
ATOM     19  H   LIG    1       -2.547   4.874   1.639  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   7  10
BRANCH   1  20
ATOM     20  N   LIG    1        1.518   0.668  -0.418  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1        1.325   1.652  -0.248  0.00  0.00    +0.154 HD
BRANCH  20  24
ATOM     22  C   LIG    1        5.060   0.847   0.721  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        3.838   1.132   0.092  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        2.712   0.305   0.256  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        2.843  -0.838   1.048  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        4.054  -1.131   1.679  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.157  -0.290   1.520  0.00  0.00    +0.023 A 
BRANCH  22  29
ATOM     28  C   LIG    1        7.386   1.701   1.047  0.00  0.00    +0.241 C 
ATOM     29  N   LIG    1        6.131   1.735   0.483  0.00  0.00    -0.282 N 
ATOM     30  H   LIG    1        5.935   2.500  -0.147  0.00  0.00    +0.155 HD
ATOM     31  O   LIG    1        7.791   0.957   1.931  0.00  0.00    -0.271 OA
BRANCH  28  33
ATOM     32  C   LIG    1        8.329   3.225  -0.714  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1        8.304   2.762   0.543  0.00  0.00    +0.060 C 
ENDBRANCH  28  33
ENDBRANCH  22  29
ENDBRANCH  20  24
ENDBRANCH   1  20
BRANCH   4  34
ATOM     34  C   LIG    1       -1.323  -4.511  -2.072  0.00  0.00    +0.037 C 
ATOM     35  C   LIG    1       -1.503  -5.440  -0.881  0.00  0.00    +0.009 C 
ENDBRANCH   4  34
TORSDOF 9