REMARK  Name = BDB001646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.713  -1.005   0.220  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -2.078  -0.787   0.298  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1       -3.088  -1.822   0.388  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1       -2.354   0.570   0.374  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -1.128   1.237   0.399  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -1.111   2.643   0.503  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -2.318   3.343   0.575  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.530   2.663   0.541  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.572   1.268   0.441  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -0.123   0.246   0.286  0.00  0.00    +0.168 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -0.567  -3.302  -0.850  0.00  0.00    +0.093 C 
ATOM     12  C   LIG    1       -0.026  -2.281   0.119  0.00  0.00    +0.180 C 
ATOM     13  O   LIG    1        0.979  -2.537   0.784  0.00  0.00    -0.291 OA
ENDBRANCH   1  12
BRANCH  10  14
ATOM     14  O   LIG    1        1.207   0.492   0.289  0.00  0.00    -0.417 OA
BRANCH  14  15
ATOM     15  C   LIG    1        1.936   0.069  -0.794  0.00  0.00    +0.380 C 
ATOM     16  O   LIG    1        1.468  -0.425  -1.817  0.00  0.00    -0.241 OA
BRANCH  15  17
ATOM     17  C   LIG    1        3.337   0.328  -0.548  0.00  0.00    +0.212 A 
ATOM     18  O   LIG    1        4.236   0.062  -1.550  0.00  0.00    -0.456 OA
ATOM     19  C   LIG    1        5.470   0.381  -1.086  0.00  0.00    +0.196 A 
ATOM     20  C   LIG    1        5.394   0.854   0.202  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        4.022   0.821   0.551  0.00  0.00    +0.056 A 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  10  14
TORSDOF 4