REMARK  Name = BDB026647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.860   1.231   1.917  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.217   0.356   0.874  0.00  0.00    -0.041 A 
ATOM      3  C   LIG    1       -1.989  -0.351  -0.070  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -1.325  -1.146  -1.018  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.071  -1.240  -1.044  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        0.839  -0.539  -0.120  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        0.187   0.256   0.833  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -3.456  -0.284  -0.097  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -4.229  -1.275   0.526  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -5.624  -1.214   0.499  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.263  -0.162  -0.154  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.509   0.828  -0.781  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.114   0.766  -0.753  0.00  0.00    +0.008 A 
ENDBRANCH   3   8
BRANCH   6  14
ATOM     14  N   LIG    1        2.249  -0.574  -0.069  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        2.665  -0.005   0.661  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        3.110  -1.229  -0.935  0.00  0.00    +0.237 C 
ATOM     17  O   LIG    1        2.778  -1.915  -1.900  0.00  0.00    -0.274 OA
BRANCH  16  18
ATOM     18  C   LIG    1        4.582  -1.117  -0.574  0.00  0.00    +0.218 C 
BRANCH  18  19
ATOM     19  N   LIG    1        4.983   0.211  -0.156  0.00  0.00    -0.328 N 
ATOM     20  C   LIG    1        4.972   1.332  -0.936  0.00  0.00    +0.199 A 
ATOM     21  N   LIG    1        5.355   2.387  -0.253  0.00  0.00    -0.244 NA
ATOM     22  C   LIG    1        5.652   1.925   1.002  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1        5.427   0.570   1.086  0.00  0.00    +0.107 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  14
TORSDOF 4