REMARK  Name = BDB012174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.049  -1.310   0.264  0.00  0.00    +0.080 C 
ATOM      2  C   LIG    1        0.858  -0.339   0.276  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -0.457  -1.060   0.544  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1       -0.714  -2.123  -0.428  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -1.973  -2.661  -0.679  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -2.158  -3.537  -1.524  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.437  -2.661  -1.156  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        1.673  -2.705  -0.265  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1        5.044   0.229  -0.836  0.00  0.00    +0.248 A 
ATOM     10  O   LIG    1        4.232  -0.219   0.176  0.00  0.00    -0.420 OA
ATOM     11  C   LIG    1        3.170  -0.724  -0.523  0.00  0.00    +0.221 A 
ATOM     12  N   LIG    1        3.305  -0.599  -1.825  0.00  0.00    -0.112 NA
ATOM     13  N   LIG    1        4.521   0.018  -2.028  0.00  0.00    -0.107 NA
BRANCH   9  18
ATOM     14  C   LIG    1       10.094   2.677   0.560  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        8.770   2.066   0.207  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1        7.925   1.578   1.208  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        6.704   0.980   0.877  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        6.309   0.848  -0.462  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        7.169   1.327  -1.460  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        8.389   1.925  -1.131  0.00  0.00    +0.004 A 
ENDBRANCH   9  18
ENDBRANCH   1  11
BRANCH   5  21
ATOM     21  C   LIG    1       -3.125  -2.107   0.147  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.431  -2.867  -0.102  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.566  -2.391   0.803  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.978  -0.972   0.490  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1       -6.722  -0.798  -0.645  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -6.984  -1.584  -1.223  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -7.163   0.428  -1.074  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -7.837   0.561  -2.088  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.773   1.572  -0.232  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -6.007   1.302   0.905  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -5.626   2.369   1.721  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -6.003   3.678   1.402  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -6.768   3.931   0.262  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -7.157   2.876  -0.562  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -5.607   0.001   1.257  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 6