REMARK  Name = BDB014242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.873   0.502   0.463  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        2.671  -0.207   0.539  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        2.362  -0.973   1.656  0.00  0.00    +0.089 A 
ATOM      4  C   LIG    1        1.094  -1.558   1.436  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.644  -1.140   0.196  0.00  0.00    +0.019 A 
ATOM      6  N   LIG    1        3.186  -1.086   2.725  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.341  -0.395   2.632  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        1.617  -0.327  -0.338  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1        1.580   0.135  -1.240  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        4.728   0.393   1.559  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        3.458   1.430  -1.706  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1        4.179   1.309  -0.732  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1        5.370   1.926  -0.650  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        5.446   2.420  -1.493  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1       -0.622  -1.447  -0.537  0.00  0.00    +0.056 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.834  -0.671   0.015  0.00  0.00    -0.005 C 
ATOM     17  C   LIG    1       -1.721   0.841  -0.253  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -2.959   1.598   0.224  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1       -4.237   1.030  -0.383  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -4.363  -0.466  -0.119  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -3.130  -1.226  -0.600  0.00  0.00    +0.004 C 
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 4