REMARK  Name = BDB003870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.106   1.259   2.267  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.130   0.631   1.859  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.898   1.222   1.858  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.111   2.150   2.220  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.328   1.445   0.636  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.426   2.555   0.117  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.461   0.330   0.059  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -0.043   0.490   0.641  0.00  0.00    +0.122 C 
ATOM      9  N   LIG    1        0.816  -0.124  -0.370  0.00  0.00    -0.314 N 
ATOM     10  C   LIG    1        0.199  -0.069  -1.689  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1       -1.182   0.548  -1.445  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.003  -1.091   0.321  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -3.517  -1.200   0.167  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -4.240  -0.820   1.451  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   9  15
ATOM     15  C   LIG    1        2.180  -0.091  -0.185  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1        2.654   0.384   0.992  0.00  0.00    -0.238 NA
ATOM     17  C   LIG    1        3.994   0.406   1.204  0.00  0.00    +0.145 A 
ATOM     18  C   LIG    1        4.912  -0.045   0.275  0.00  0.00    +0.144 A 
ATOM     19  C   LIG    1        4.442  -0.549  -0.932  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        3.062  -0.573  -1.155  0.00  0.00    +0.046 A 
BRANCH  18  21
ATOM     21  N   LIG    1        6.335   0.006   0.570  0.00  0.00    +0.058 N 
ATOM     22  O   LIG    1        7.116  -0.408  -0.297  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        6.681   0.461   1.669  0.00  0.00    -0.126 OA
ENDBRANCH  18  21
ENDBRANCH   9  15
TORSDOF 2