REMARK  Name = BDB048364
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.253  -0.094  -0.322  0.00  0.00    +0.150 A 
ATOM      2  C   LIG    1       -2.232   0.936  -0.299  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -2.155   2.353   0.141  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -3.491   2.987   0.118  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -4.425   2.570  -0.949  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -4.676   1.048  -0.967  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -3.752   4.186   0.771  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -4.778   4.840   0.582  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -2.720   4.672   1.759  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -3.376   0.357  -0.806  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1       -3.064  -0.939  -1.076  0.00  0.00    -0.266 N 
ATOM     12  N   LIG    1       -1.775  -1.224  -0.812  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.022   0.116   0.092  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.264   1.046   0.407  0.00  0.00    +0.154 HD
BRANCH  13  17
ATOM     15  C   LIG    1        3.508  -1.040   0.698  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        2.372  -0.227   0.565  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        1.118  -0.766   0.235  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        1.039  -2.148   0.035  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        2.161  -2.971   0.184  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        3.395  -2.421   0.521  0.00  0.00    +0.013 A 
BRANCH  15  23
ATOM     21  N   LIG    1        5.944  -1.018   0.612  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1        5.868  -1.793  -0.032  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        4.798  -0.388   1.052  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        4.798   0.670   1.672  0.00  0.00    -0.270 OA
BRANCH  21  25
ATOM     25  C   LIG    1        7.262  -0.457   0.832  0.00  0.00    +0.104 C 
BRANCH  25  27
ATOM     26  C   LIG    1        7.035   1.570  -0.695  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        7.793   0.287  -0.392  0.00  0.00    +0.015 C 
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH  15  23
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH  11  28
ATOM     28  C   LIG    1       -3.936  -1.980  -1.605  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.754  -2.629  -0.526  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -4.186  -3.761   0.293  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -5.274  -4.033  -0.709  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 7