REMARK  Name = BDB003920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.026  -2.274   2.014  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.201  -1.570   1.434  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.093  -1.124   2.109  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -2.054  -1.600   3.004  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -0.838  -1.004   1.556  0.00  0.00    +0.244 C 
ATOM      6  O   LIG    1        0.088  -1.659   2.036  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1       -0.677  -0.116   0.322  0.00  0.00    +0.194 C 
ATOM      8  C   LIG    1       -1.858   0.844   0.108  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -3.120   0.169  -0.430  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1       -3.307  -1.291  -0.046  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1        0.584   0.623   0.433  0.00  0.00    -0.251 N 
ATOM     12  C   LIG    1        1.768   0.348  -0.216  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        2.648   1.356   0.181  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        3.965   1.353  -0.322  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.358   0.339  -1.202  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.465  -0.661  -1.578  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        1.885   2.161   1.057  0.00  0.00    +0.131 A 
ATOM     18  I   LIG    1        2.573   3.862   2.031  0.00  0.00    -0.019 I 
ATOM     19  C   LIG    1        2.153  -0.678  -1.092  0.00  0.00    +0.028 A 
ATOM     20  N   LIG    1        0.632   1.730   1.206  0.00  0.00    -0.163 NA
ENDBRANCH   7  11
TORSDOF 1