REMARK  Name = BDB017178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.348  -1.052  -1.246  0.00  0.00    +0.171 C 
ATOM      2  O   LIG    1        1.337  -1.259  -2.460  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   5
ATOM      3  N   LIG    1       -2.112  -0.231   0.128  0.00  0.00    -0.302 NA
ATOM      4  C   LIG    1       -1.047  -0.450  -0.875  0.00  0.00    +0.095 C 
ATOM      5  C   LIG    1        0.127  -1.311  -0.371  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1        0.308  -1.149   1.136  0.00  0.00    +0.014 C 
ATOM      7  C   LIG    1       -0.978  -1.533   1.877  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -2.244  -1.380   1.023  0.00  0.00    +0.084 C 
BRANCH   3   9
ATOM      9  C   LIG    1       -3.370   0.143  -0.535  0.00  0.00    +0.084 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -3.937   1.971   1.153  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1       -4.428   0.741   0.403  0.00  0.00    +0.012 C 
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   1   5
BRANCH   1  12
ATOM     12  C   LIG    1        2.610  -0.588  -0.645  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        2.773   0.737  -0.236  0.00  0.00    +0.131 A 
ATOM     14  C   LIG    1        3.971   1.139   0.354  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        5.021   0.227   0.485  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        4.872  -1.087   0.034  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.666  -1.498  -0.535  0.00  0.00    +0.015 A 
BRANCH  13  18
ATOM     18  O   LIG    1        1.752   1.642  -0.344  0.00  0.00    -0.494 OA
ATOM     19  C   LIG    1        1.885   2.391  -1.554  0.00  0.00    +0.277 C 
ENDBRANCH  13  18
ENDBRANCH   1  12
TORSDOF 5