REMARK  Name = BDB003438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.832   2.176  -0.619  0.00  0.00    +0.157 C 
ATOM      2  N   LIG    1       -2.136   1.169   0.160  0.00  0.00    -0.262 N 
ATOM      3  C   LIG    1       -2.420   1.138   1.540  0.00  0.00    +0.333 A 
ATOM      4  O   LIG    1       -3.218   1.935   2.042  0.00  0.00    -0.246 OA
ATOM      5  N   LIG    1       -1.755   0.179   2.303  0.00  0.00    -0.280 N 
ATOM      6  C   LIG    1       -2.002   0.068   3.730  0.00  0.00    +0.155 C 
ATOM      7  C   LIG    1       -0.852  -0.659   1.695  0.00  0.00    +0.168 A 
ATOM      8  N   LIG    1       -0.136  -1.639   2.308  0.00  0.00    -0.218 NA
ATOM      9  C   LIG    1        0.585  -2.172   1.344  0.00  0.00    +0.202 A 
ATOM     10  N   LIG    1        0.355  -1.556   0.138  0.00  0.00    -0.325 N 
ATOM     11  C   LIG    1       -0.569  -0.573   0.364  0.00  0.00    +0.151 A 
ATOM     12  C   LIG    1       -1.174   0.391  -0.490  0.00  0.00    +0.282 A 
ATOM     13  O   LIG    1       -0.852   0.536  -1.666  0.00  0.00    -0.265 OA
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        0.949  -1.958  -1.121  0.00  0.00    +0.124 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.334  -1.364  -1.369  0.00  0.00    +0.033 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.296   0.127  -1.703  0.00  0.00    +0.122 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.669   0.662  -2.030  0.00  0.00    +0.305 C 
ATOM     18  O   LIG    1        4.709   0.029  -1.946  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1        3.634   1.954  -2.430  0.00  0.00    -0.481 OA
ATOM     20  H   LIG    1        2.735   2.334  -2.454  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  10  14
TORSDOF 5