REMARK  Name = BDB060114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.217   0.039   1.029  0.00  0.00    -0.149 NA
ATOM      2  N   LIG    1       -0.476   0.073  -0.011  0.00  0.00    -0.149 NA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        4.356   0.271   0.170  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1        3.808  -0.851   0.808  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.438  -0.920   1.080  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.586   0.126   0.715  0.00  0.00    +0.086 A 
ATOM      7  C   LIG    1        2.131   1.255   0.093  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.501   1.327  -0.180  0.00  0.00    +0.010 A 
BRANCH   3  11
ATOM      9  C   LIG    1        5.461  -0.528  -2.483  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        6.336  -0.029  -1.364  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1        5.795   0.345  -0.114  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1        6.665   0.804   0.891  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        8.039   0.896   0.669  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        8.567   0.530  -0.564  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.722   0.072  -1.575  0.00  0.00    +0.004 A 
ENDBRANCH   3  11
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1       -1.845  -0.027   0.300  0.00  0.00    +0.086 A 
ATOM     17  C   LIG    1       -2.499   0.934   1.080  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -3.867   0.826   1.348  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -4.607  -0.246   0.831  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1       -3.957  -1.201   0.041  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -2.589  -1.087  -0.225  0.00  0.00    +0.030 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -6.088  -0.356   1.111  0.00  0.00    +0.059 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -6.943   0.570   0.243  0.00  0.00    +0.146 C 
ATOM     24  C   LIG    1       -8.374   0.592   0.738  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -8.712   0.761   1.902  0.00  0.00    -0.274 OA
ATOM     26  N   LIG    1       -9.269   0.405  -0.271  0.00  0.00    -0.246 N 
ATOM     27  H   LIG    1      -10.257   0.361  -0.078  0.00  0.00    +0.158 HD
ATOM     28  C   LIG    1       -8.806   0.007  -1.478  0.00  0.00    +0.279 C 
ATOM     29  O   LIG    1       -9.495  -0.348  -2.418  0.00  0.00    -0.263 OA
ATOM     30  S   LIG    1       -7.064   0.025  -1.498  0.00  0.00    -0.054 S 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   2  16
TORSDOF 5