REMARK  Name = BDB007641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.028   0.758  -1.752  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.395   1.912  -1.129  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.051   2.211  -0.271  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.578   0.231  -2.677  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.456   0.292  -0.126  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -2.291   0.891  -0.636  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -1.261   0.129  -1.209  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -1.390  -1.257  -1.292  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.521  -1.873  -0.767  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.531  -1.103  -0.176  0.00  0.00    +0.023 A 
BRANCH   5  11
ATOM     11  N   LIG    1       -4.391   1.116   0.482  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1       -4.401   2.053   0.085  0.00  0.00    +0.146 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -8.802  -1.169  -0.174  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -7.570  -0.902   0.679  0.00  0.00    +0.117 C 
ATOM     15  O   LIG    1       -7.998  -0.394   1.941  0.00  0.00    -0.377 OA
ATOM     16  C   LIG    1       -6.954  -0.349   2.916  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -5.572  -0.067   2.330  0.00  0.00    +0.050 C 
ATOM     18  C   LIG    1       -5.694   0.742   1.043  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1       -6.646   0.121   0.016  0.00  0.00    +0.053 C 
ENDBRANCH  11  18
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1        1.599   2.614  -1.540  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.873   2.113  -0.844  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        3.877   3.138  -0.926  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        4.728   2.655  -0.865  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.438   0.818  -1.470  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.804   0.520  -0.965  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        4.761   0.051   0.439  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.090  -0.462   0.953  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        7.098  -0.875   0.065  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        8.309  -1.373   0.565  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        8.508  -1.486   1.941  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.504  -1.097   2.824  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.900  -0.720  -1.421  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        6.300  -0.591   2.334  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.426  -0.526  -1.800  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8