REMARK  Name = BDB000111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.573   3.433   1.269  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.312   3.021   0.555  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.854   1.751   0.804  0.00  0.00    -0.291 N 
ATOM      4  C   LIG    1       -1.617   1.271   0.140  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.519  -0.088   0.679  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -2.565  -0.372   1.555  0.00  0.00    +0.087 A 
ATOM      7  N   LIG    1       -2.523  -1.593   2.073  0.00  0.00    -0.175 NA
ATOM      8  N   LIG    1       -1.397  -2.101   1.498  0.00  0.00    -0.263 N 
ATOM      9  H   LIG    1       -1.100  -3.049   1.716  0.00  0.00    +0.190 HD
ATOM     10  C   LIG    1       -0.757  -1.219   0.642  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -3.494   0.757   1.711  0.00  0.00    +0.165 C 
ATOM     12  O   LIG    1       -2.732   3.790  -0.209  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        0.397  -1.503  -0.056  0.00  0.00    -0.270 N 
ATOM     14  H   LIG    1        0.797  -0.774  -0.638  0.00  0.00    +0.156 HD
ATOM     15  C   LIG    1        1.051  -2.718   0.072  0.00  0.00    +0.223 C 
ATOM     16  O   LIG    1        0.649  -3.642   0.781  0.00  0.00    -0.275 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.290  -2.881  -0.799  0.00  0.00    +0.131 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.104  -1.624  -0.998  0.00  0.00    -0.039 A 
ATOM     19  C   LIG    1        3.156  -0.999  -2.251  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.884   0.179  -2.422  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.567   0.741  -1.345  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.526   0.124  -0.096  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.800  -1.054   0.078  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  10  13
TORSDOF 3