REMARK  Name = BDB038862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.508   0.765   0.382  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -0.434  -0.052  -0.255  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -0.646  -1.412  -0.175  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1       -0.099  -2.046   0.391  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1       -1.694  -1.800  -0.974  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.166  -0.655  -1.613  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -3.250  -0.781  -2.506  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.818  -2.041  -2.725  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.322  -3.166  -2.071  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.248  -3.068  -1.182  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -1.365   0.445  -1.169  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.354   1.814  -1.465  0.00  0.00    +0.045 A 
ATOM     13  CA  LIG    1       -0.387   2.567  -0.818  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1        0.529   2.088   0.073  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1        3.804   0.110   2.108  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1        2.855   0.562   1.184  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1        1.487   0.284   1.354  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.097  -0.445   2.491  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        2.040  -0.898   3.416  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.393  -0.625   3.223  0.00  0.00    +0.019 A 
BRANCH  15  22
ATOM     21  N   LIG    1        6.322   0.624   1.750  0.00  0.00    -0.191 NA
ATOM     22  C   LIG    1        5.195   0.397   1.910  0.00  0.00    +0.099 C 
ENDBRANCH  15  22
ENDBRANCH   1  17
BRANCH  13  23
ATOM     23  C   LIG    1       -0.300   4.035  -1.076  0.00  0.00    +0.355 C 
ATOM     24  O   LIG    1       -1.012   4.656  -1.843  0.00  0.00    -0.243 OA
BRANCH  23  25
ATOM     25  OXT LIG    1        0.689   4.585  -0.328  0.00  0.00    -0.476 OA
ATOM     26  HXT LIG    1        1.107   3.873   0.211  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  13  23
TORSDOF 4