REMARK  Name = BDB016109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.569   1.927  -0.530  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.210   0.860  -0.271  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.546   1.028  -0.240  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.129   2.269  -0.502  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.241   3.299  -0.757  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.099   3.163  -0.769  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.987   0.229  -0.369  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.598   0.442  -0.366  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.033   1.724  -0.540  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.921   2.799  -0.721  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.304   2.608  -0.725  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.832   1.330  -0.548  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.957  -3.754  -0.506  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.851  -2.861  -0.256  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.775  -3.314   0.407  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.963  -2.253   0.445  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.521  -1.111  -0.180  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.751  -1.552  -0.628  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.561   2.501  -0.527  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.196   3.602   0.012  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.530   3.422  -0.217  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.605   4.308   0.161  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.812   2.277  -0.862  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.613   1.724  -1.062  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.357  -0.095   0.033  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1       -3.050   0.168   0.732  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.648  -1.333   0.391  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -2.638  -2.514   0.368  0.00  0.00    +0.163 C 
ATOM     29  C   LIG    1       -1.980  -3.527   1.300  0.00  0.00    +0.145 C 
ATOM     30  C   LIG    1       -1.506  -2.663   2.458  0.00  0.00    +0.036 C 
ATOM     31  C   LIG    1       -1.105  -1.321   1.827  0.00  0.00    +0.027 C 
BRANCH  28  32
ATOM     32  O   LIG    1       -2.805  -3.053  -0.942  0.00  0.00    -0.387 OA
ATOM     33  H   LIG    1       -2.959  -2.284  -1.524  0.00  0.00    +0.210 HD
ENDBRANCH  28  32
BRANCH  29  34
ATOM     34  O   LIG    1       -0.857  -4.129   0.660  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1       -1.171  -4.373  -0.234  0.00  0.00    +0.210 HD
ENDBRANCH  29  34
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7