REMARK  Name = BDB034825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.020  -0.018  -0.646  0.00  0.00    +0.224 C 
ATOM      2  N   LIG    1       -0.086   0.600   0.172  0.00  0.00    -0.256 N 
ATOM      3  H   LIG    1       -0.387   1.310   0.824  0.00  0.00    +0.158 HD
ATOM      4  O   LIG    1       -0.799  -0.805  -1.558  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.258   0.325   0.081  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        2.167   0.992   0.867  0.00  0.00    -0.326 N 
ATOM      7  H   LIG    1        1.953   1.709   1.540  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        3.422   0.522   0.580  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        3.204  -0.442  -0.397  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        4.297  -1.139  -0.929  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        5.580  -0.837  -0.454  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        5.768   0.137   0.530  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        4.688   0.844   1.073  0.00  0.00    +0.028 A 
ATOM     14  N   LIG    1        1.867  -0.547  -0.685  0.00  0.00    -0.214 NA
ENDBRANCH   2   5
BRANCH   1  17
ATOM     15  N   LIG    1       -4.357  -0.124   0.995  0.00  0.00    -0.269 N 
ATOM     16  C   LIG    1       -2.873  -0.169   1.040  0.00  0.00    +0.129 C 
ATOM     17  C   LIG    1       -2.437   0.405  -0.302  0.00  0.00    +0.095 C 
ATOM     18  C   LIG    1       -3.502  -0.151  -1.237  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -4.784  -0.012  -0.427  0.00  0.00    +0.117 C 
BRANCH  15  21
ATOM     20  N   LIG    1       -5.840  -0.860   2.863  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1       -5.156  -0.521   1.993  0.00  0.00    +0.169 C 
ENDBRANCH  15  21
ENDBRANCH   1  17
TORSDOF 3