REMARK  Name = BDB057898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.026  -0.517  -0.030  0.00  0.00    -0.219 N 
ATOM      2  N   LIG    1        0.944  -1.866   0.051  0.00  0.00    -0.060 NA
ATOM      3  N   LIG    1       -0.336  -2.209   0.111  0.00  0.00    -0.128 NA
ATOM      4  C   LIG    1       -1.090  -1.068   0.067  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -0.245   0.018  -0.022  0.00  0.00    +0.146 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        5.974  -0.765  -0.140  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        4.710   0.041  -0.183  0.00  0.00    -0.048 A 
ATOM      8  C   LIG    1        3.463  -0.595  -0.100  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        2.274   0.154  -0.108  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1        2.341   1.551  -0.190  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        3.583   2.186  -0.258  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.760   1.437  -0.249  0.00  0.00    +0.003 A 
ENDBRANCH   1   9
BRANCH   4  13
ATOM     13  C   LIG    1       -2.546  -1.056   0.112  0.00  0.00    +0.093 A 
ATOM     14  N   LIG    1       -3.143  -2.270   0.206  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1       -4.490  -2.321   0.250  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1       -5.296  -1.202   0.206  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -4.674   0.040   0.109  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1       -3.280   0.122   0.061  0.00  0.00    +0.045 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -5.530   1.247   0.061  0.00  0.00    +0.337 C 
ATOM     20  O   LIG    1       -6.746   1.257   0.098  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -4.821   2.385  -0.032  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -5.506   3.087  -0.054  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   4  13
TORSDOF 4