REMARK  Name = BDB051312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.717   1.448  -0.908  0.00  0.00    +0.056 C 
ENDROOT
BRANCH   1   9
ATOM      2  O   LIG    1       -7.557  -1.761   1.370  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1       -6.428  -1.287   1.325  0.00  0.00    +0.244 C 
ATOM      4  C   LIG    1       -6.022  -0.294   0.284  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -7.020   0.206  -0.554  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -6.715   1.123  -1.554  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -5.378   1.506  -1.698  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -4.340   1.027  -0.889  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -3.125   1.633  -1.385  0.00  0.00    -0.021 A 
ATOM     10  C   LIG    1       -3.481   2.454  -2.439  0.00  0.00    +0.087 A 
ATOM     11  N   LIG    1       -4.830   2.375  -2.612  0.00  0.00    -0.360 N 
ATOM     12  H   LIG    1       -5.359   2.870  -3.316  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -4.666   0.111   0.155  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1       -3.651  -0.504   1.094  0.00  0.00    +0.055 C 
ATOM     15  C   LIG    1       -4.279  -0.874   2.430  0.00  0.00    +0.109 C 
ATOM     16  N   LIG    1       -5.477  -1.654   2.245  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1       -5.830  -2.224   3.003  0.00  0.00    +0.149 HD
ENDBRANCH   1   9
BRANCH   1  18
ATOM     18  C   LIG    1       -1.096   0.139  -1.402  0.00  0.00    +0.109 C 
BRANCH  18  19
ATOM     19  N   LIG    1        0.270  -0.034  -0.939  0.00  0.00    -0.315 N 
ATOM     20  H   LIG    1        1.022   0.238  -1.559  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        0.556  -0.467   0.335  0.00  0.00    +0.216 C 
ATOM     22  O   LIG    1       -0.314  -0.743   1.157  0.00  0.00    -0.276 OA
BRANCH  21  23
ATOM     23  C   LIG    1        2.033  -0.573   0.679  0.00  0.00    +0.078 C 
ATOM     24  C   LIG    1        2.717   0.795   0.633  0.00  0.00    +0.032 C 
ATOM     25  C   LIG    1        4.198   0.677   0.988  0.00  0.00    +0.108 C 
ATOM     26  N   LIG    1        4.840  -0.322   0.130  0.00  0.00    -0.300 N 
ATOM     27  C   LIG    1        4.238  -1.658   0.128  0.00  0.00    +0.108 C 
ATOM     28  C   LIG    1        2.758  -1.563  -0.234  0.00  0.00    +0.032 C 
BRANCH  26  29
ATOM     29  C   LIG    1        6.238  -0.347   0.262  0.00  0.00    +0.218 A 
ATOM     30  N   LIG    1        6.871   0.751   0.715  0.00  0.00    -0.223 NA
ATOM     31  C   LIG    1        8.214   0.717   0.805  0.00  0.00    +0.116 A 
ATOM     32  C   LIG    1        8.968  -0.373   0.462  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        8.251  -1.448   0.010  0.00  0.00    +0.116 A 
ATOM     34  N   LIG    1        6.909  -1.456  -0.097  0.00  0.00    -0.223 NA
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5