REMARK  Name = BDB041430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.246   1.179  -0.831  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   1  14
ATOM      2  C   LIG    1        2.301   2.198   0.505  0.00  0.00    +0.046 C 
ATOM      3  C   LIG    1        2.164   0.787   0.019  0.00  0.00    -0.020 A 
ATOM      4  C   LIG    1        3.204  -0.120   0.157  0.00  0.00    +0.087 A 
ATOM      5  N   LIG    1        4.492   0.063   0.711  0.00  0.00    -0.261 N 
ATOM      6  H   LIG    1        4.493   0.599   1.575  0.00  0.00    +0.168 HD
ATOM      7  N   LIG    1        5.107  -1.244   0.767  0.00  0.00    -0.159 NA
ATOM      8  H   LIG    1        5.014  -1.622   1.717  0.00  0.00    +0.168 HD
ATOM      9  N   LIG    1        4.341  -2.068  -0.131  0.00  0.00    -0.236 N 
ATOM     10  C   LIG    1        4.258  -3.506   0.029  0.00  0.00    +0.153 C 
ATOM     11  C   LIG    1        3.094  -1.419  -0.359  0.00  0.00    +0.158 A 
ATOM     12  N   LIG    1        1.992  -1.919  -0.929  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1        0.964  -1.044  -1.026  0.00  0.00    +0.117 A 
ATOM     14  C   LIG    1        0.985   0.300  -0.592  0.00  0.00    -0.017 A 
ENDBRANCH   1  14
BRANCH   1  15
ATOM     15  C   LIG    1       -1.490   0.598  -0.154  0.00  0.00    -0.039 A 
ATOM     16  C   LIG    1       -1.549   0.602   1.252  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -2.651   0.058   1.953  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1       -3.708  -0.483   1.214  0.00  0.00    +0.022 A 
ATOM     19  S   LIG    1       -4.932  -1.103   2.270  0.00  0.00    -0.096 S 
ATOM     20  C   LIG    1       -4.080  -0.647   3.670  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -3.698  -0.489  -0.202  0.00  0.00    -0.036 A 
ATOM     22  C   LIG    1       -4.803  -1.074  -1.041  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1       -2.885  -0.041   3.367  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -2.564   0.043  -0.853  0.00  0.00    +0.008 A 
ENDBRANCH   1  15
BRANCH   1  25
ATOM     25  C   LIG    1       -0.334   1.495  -2.335  0.00  0.00    +0.133 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.237   2.670  -2.604  0.00  0.00    +0.306 C 
ATOM     27  O   LIG    1       -2.410   2.570  -2.927  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -0.627   3.867  -2.454  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1        0.325   3.822  -2.247  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 5