REMARK  Name = BDB025339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.163   0.237  -0.032  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -0.710  -0.800   0.705  0.00  0.00    +0.113 A 
ATOM      3  C   LIG    1       -2.086  -0.800   0.457  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -2.890  -1.754   1.103  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.250  -2.646   1.947  0.00  0.00    +0.115 A 
ATOM      6  N   LIG    1       -0.923  -2.659   2.181  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1       -2.360   0.245  -0.474  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.544   0.705  -1.091  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -3.489   1.769  -1.995  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.275   2.376  -2.290  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.089   1.941  -1.691  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -0.164  -1.741   1.568  0.00  0.00    +0.237 A 
ATOM     13  C   LIG    1       -1.149   0.871  -0.778  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        5.271   0.027   0.763  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.079   0.161   0.501  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.183   0.564   1.456  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.566   0.751   2.373  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        1.855   0.889   1.288  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        1.248   1.466   2.190  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        1.258   0.603  -0.083  0.00  0.00    +0.174 C 
ATOM     21  C   LIG    1        2.076  -0.412  -0.886  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.540  -0.007  -0.899  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
BRANCH  12  23
ATOM     23  O   LIG    1        1.161  -1.840   1.860  0.00  0.00    -0.491 OA
ATOM     24  H   LIG    1        1.117  -2.576   2.500  0.00  0.00    +0.294 HD
ENDBRANCH  12  23
TORSDOF 2