REMARK  Name = BDB018228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.097   0.799  -0.438  0.00  0.00    -0.264 N 
ATOM      2  N   LIG    1       -0.797   1.850   0.359  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.453   1.601   0.756  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.968   0.400   0.219  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -0.062  -0.094  -0.551  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.260  -0.193   0.409  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.362   0.548   0.642  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1        4.619  -0.013   0.822  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1        5.748   0.874   1.054  0.00  0.00    +0.152 C 
ATOM     10  C   LIG    1        4.836  -1.387   0.769  0.00  0.00    +0.251 A 
ATOM     11  O   LIG    1        5.923  -1.940   0.907  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1        3.629  -2.216   0.526  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        2.431  -1.639   0.360  0.00  0.00    +0.015 A 
ENDBRANCH   4   6
BRANCH   1  15
ATOM     14  C   LIG    1       -3.014   2.045  -1.469  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1       -2.406   0.690  -1.091  0.00  0.00    +0.134 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.359  -0.147  -0.255  0.00  0.00    -0.020 A 
ATOM     17  C   LIG    1       -3.930  -1.311  -0.783  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -4.803  -2.046   0.006  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -5.141  -1.707   1.267  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1       -4.584  -0.583   1.763  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -3.705   0.220   1.052  0.00  0.00    +0.025 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 3