REMARK  Name = BDB034858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.897  -0.305   0.793  0.00  0.00    +0.271 C 
ATOM      2  O   LIG    1        0.992  -1.352   1.424  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.058   0.466   0.346  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        3.438   0.098   0.475  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        4.193   1.123  -0.087  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1        5.533   1.200  -0.187  0.00  0.00    -0.237 NA
ATOM      7  C   LIG    1        6.161   0.124   0.340  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        5.540  -0.969   0.930  0.00  0.00    +0.020 A 
ATOM      9  N   LIG    1        3.334   2.081  -0.541  0.00  0.00    -0.345 N 
ATOM     10  H   LIG    1        3.637   2.933  -0.990  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        4.147  -0.995   1.006  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        2.042   1.702  -0.291  0.00  0.00    +0.098 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     13  N   LIG    1       -2.208   0.313  -0.891  0.00  0.00    -0.308 N 
ATOM     14  C   LIG    1       -0.981  -0.169  -0.496  0.00  0.00    +0.149 C 
ATOM     15  N   LIG    1       -0.293   0.299   0.490  0.00  0.00    -0.155 NA
ATOM     16  S   LIG    1       -0.495  -1.496  -1.558  0.00  0.00    -0.091 S 
ATOM     17  C   LIG    1       -1.807  -1.126  -2.756  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -2.890  -0.446  -1.929  0.00  0.00    +0.118 C 
BRANCH  13  19
ATOM     19  C   LIG    1       -2.957   1.312  -0.137  0.00  0.00    +0.137 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.211  -0.395   1.301  0.00  0.00    +0.039 C 
ATOM     21  C   LIG    1       -3.360   0.868   1.282  0.00  0.00    +0.129 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.123   1.922   1.883  0.00  0.00    -0.391 OA
ATOM     23  H   LIG    1       -4.232   1.694   2.823  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  15
TORSDOF 5