REMARK  Name = BDB053263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.278   1.172   1.805  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.364   1.535   0.882  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1        0.285   2.266   1.265  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1        0.066   2.648   2.591  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1        1.001   2.251   3.560  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1        0.839   2.603   5.014  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        2.114   1.507   3.149  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        3.426   0.417   1.458  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        4.244   0.785   1.934  0.00  0.00    +0.155 HD
BRANCH   8  15
ATOM     10  C   LIG    1        3.086  -2.144  -2.818  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.521  -1.421  -1.600  0.00  0.00    +0.062 A 
ATOM     12  N   LIG    1        4.823  -1.296  -1.315  0.00  0.00    -0.178 NA
ATOM     13  N   LIG    1        4.831  -0.602  -0.165  0.00  0.00    -0.264 N 
ATOM     14  H   LIG    1        5.728  -0.387   0.252  0.00  0.00    +0.190 HD
ATOM     15  C   LIG    1        3.586  -0.269   0.299  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        2.712  -0.806  -0.617  0.00  0.00    +0.068 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   4  17
ATOM     17  C   LIG    1       -1.081   3.422   2.968  0.00  0.00    +0.102 C 
ATOM     18  N   LIG    1       -1.993   4.045   3.328  0.00  0.00    -0.191 NA
ENDBRANCH   4  17
BRANCH   3  19
ATOM     19  S   LIG    1       -0.821   2.787  -0.051  0.00  0.00    -0.105 S 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.574   1.468  -1.288  0.00  0.00    +0.076 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.167   0.115  -0.884  0.00  0.00    +0.011 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.699   0.110  -0.820  0.00  0.00    +0.001 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.282  -1.235  -0.375  0.00  0.00    +0.001 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.943  -2.440  -1.262  0.00  0.00    +0.015 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.337  -2.303  -2.734  0.00  0.00    +0.077 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.769  -2.087  -2.897  0.00  0.00    -0.330 NA
ATOM     27  H   LIG    1       -5.284  -2.865  -2.488  0.00  0.00    +0.118 HD
ATOM     28  H   LIG    1       -5.001  -2.078  -3.889  0.00  0.00    +0.118 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 11