REMARK  Name = BDB011658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.801  -0.989  -1.395  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.301  -0.456  -0.760  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.161   0.381  -0.202  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.800  -2.028  -2.046  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.584  -0.926  -0.697  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.523  -0.300   0.283  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.224   0.684   0.944  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -3.724  -1.003   0.224  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -3.625  -1.944  -0.844  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -4.200  -3.261  -0.541  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.309  -1.857  -1.338  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -1.909  -2.702  -2.505  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.021  -0.371   0.480  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.295   0.806  -0.470  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.659   1.438  -0.199  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -6.808   1.853   1.262  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.535   0.688   2.209  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.168   0.060   1.948  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        1.938   0.496   1.329  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        2.522   0.467  -0.034  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.697   1.063  -0.457  0.00  0.00    +0.169 A 
ATOM     22  O   LIG    1        3.887   0.781  -1.772  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1        2.869  -0.015  -2.237  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        2.027  -0.196  -1.207  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.725   1.923   0.209  0.00  0.00    +0.187 C 
ATOM     26  O   LIG    1        5.069   1.289   1.448  0.00  0.00    -0.369 OA
ATOM     27  C   LIG    1        6.383   0.741   1.534  0.00  0.00    +0.164 C 
ATOM     28  C   LIG    1        6.809   0.053   0.240  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        8.141  -0.672   0.399  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        6.866   1.077  -0.901  0.00  0.00    +0.008 C 
ATOM     31  C   LIG    1        5.941   2.270  -0.654  0.00  0.00    +0.040 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4