REMARK  Name = BDB056321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.706  -1.091  -1.653  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.422  -0.343  -2.081  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.110  -0.336  -3.277  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.348   0.307  -1.106  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.100   0.201   0.298  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.222  -1.038   0.885  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        0.512  -1.106   2.257  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.475   0.039   3.047  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        0.146   1.262   2.476  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.224  -2.302   0.070  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -0.141   1.341   1.112  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.417  -2.378  -0.873  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.993  -0.469  -0.901  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.642  -0.203  -0.957  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.270   0.558  -0.402  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.509  -1.433  -1.464  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.804   0.560  -0.081  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.998   1.824  -0.914  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.041  -0.917   1.398  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.132   0.013   0.277  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.462  -0.514  -0.541  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.446   1.182  -1.573  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.808   0.904  -0.937  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -3.506  -0.323  -1.191  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -4.731  -0.565  -0.522  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -5.435  -1.765  -0.728  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -4.959  -2.736  -1.606  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.773  -2.514  -2.289  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.254   0.398   0.344  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -4.602   1.612   0.546  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -3.064  -1.326  -2.087  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -3.389   1.878  -0.090  0.00  0.00    +0.125 A 
BRANCH  32  33
ATOM     33  O   LIG    1       -2.705   3.060   0.044  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1       -3.250   4.049   0.908  0.00  0.00    +0.277 C 
ENDBRANCH  32  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6