REMARK  Name = BDB031588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.135  -0.873   0.093  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -0.833  -1.819   0.307  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.485  -0.180  -0.908  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1       -0.984   0.814  -1.429  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.889  -0.757  -1.293  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1        1.986  -0.302  -0.338  0.00  0.00    -0.032 A 
ATOM      7  C   LIG    1        2.971   0.625  -0.733  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1        3.958   1.021   0.185  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.972   0.516   1.483  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        3.007  -0.404   1.875  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        3.056   1.151  -2.144  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1        1.768   0.973  -2.938  0.00  0.00    +0.006 C 
ATOM     13  C   LIG    1        2.026  -0.813   0.972  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.216  -0.437  -2.762  0.00  0.00    +0.018 C 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -5.312  -0.016   3.479  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.515  -0.141   2.554  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.161  -1.384   2.094  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.532  -2.156   2.630  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.063  -1.674   1.323  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -2.598  -2.812   1.277  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.476  -0.507   0.523  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -2.479   0.743   1.397  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.901   1.044   1.846  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2