REMARK  Name = BDB003892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.205  -0.796   0.482  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1        1.006   0.421   0.355  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        2.424  -0.054  -0.055  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1        2.661   0.345  -1.515  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1        2.317  -0.352  -2.467  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1        3.157   1.597  -1.750  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1        2.908   1.796  -2.717  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1        4.519   1.716  -1.785  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        5.072   2.033  -2.837  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        5.299   1.563  -0.499  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1        4.910   0.386   0.383  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1        3.482   0.524   0.903  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1        2.349  -1.593   0.063  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1        0.877  -1.918  -0.163  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1       -3.957  -0.726   0.225  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -3.180  -1.789  -0.203  0.00  0.00    +0.126 A 
ATOM     17  N   LIG    1       -1.824  -1.815  -0.133  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1       -1.176  -0.751   0.390  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -1.900   0.341   0.873  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1       -3.297   0.359   0.790  0.00  0.00    +0.018 A 
BRANCH  15  24
ATOM     21  C   LIG    1       -7.543   0.394  -0.179  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1       -6.122   0.381   0.062  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1       -5.613   1.237  -0.109  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -5.430  -0.814   0.091  0.00  0.00    +0.245 C 
ATOM     25  O   LIG    1       -5.971  -1.909  -0.016  0.00  0.00    -0.270 OA
ENDBRANCH  15  24
ENDBRANCH   1  18
TORSDOF 2