REMARK  Name = BDB005625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.138   0.903   0.119  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.767  -0.360   0.251  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -0.974  -1.447   0.670  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -1.531  -2.726   0.783  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -0.962  -3.512   1.066  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.831  -3.019   0.500  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -3.699  -1.888   0.092  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -5.145  -2.208  -0.186  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.037  -0.962  -0.255  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.341   0.168  -1.004  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -4.050   0.406  -0.389  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.544   1.236  -0.703  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -3.254  -4.169   0.584  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.383  -1.299   0.972  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        0.995  -0.051   0.857  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -3.209  -0.636  -0.021  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.227   1.040   0.421  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -1.345   3.258  -0.285  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.904   1.951  -0.340  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        2.464   0.128   1.172  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.208   0.441  -0.044  0.00  0.00    -0.307 NA
ATOM     22  H   LIG    1        3.011  -0.278  -0.741  0.00  0.00    +0.123 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.665   0.594   0.106  0.00  0.00    +0.011 C 
ATOM     24  C   LIG    1        5.031   1.679   1.132  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1        5.192   1.034  -1.274  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1        5.341  -0.735   0.483  0.00  0.00    +0.027 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 4