REMARK  Name = BDB057439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.801   0.918   0.415  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -0.395   0.999   0.404  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.280  -0.222   0.439  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.675  -0.224   0.442  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        2.450   0.946   0.388  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.754   2.158   0.353  0.00  0.00    +0.024 A 
ATOM      7  N   LIG    1       -0.355  -1.397   0.465  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1       -1.698  -1.381   0.449  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.359   2.194   0.355  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -2.441  -0.265   0.417  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1        3.853   0.949   0.402  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1        4.476   1.624  -0.763  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1        5.999   1.810  -0.549  0.00  0.00    +0.103 C 
ATOM     14  N   LIG    1        6.749   0.591  -0.173  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        6.885  -0.327  -1.301  0.00  0.00    +0.105 C 
ATOM     16  C   LIG    1        6.067  -0.047   0.974  0.00  0.00    +0.103 C 
ATOM     17  C   LIG    1        4.551  -0.296   0.790  0.00  0.00    +0.120 C 
ENDBRANCH   5  11
BRANCH   8  18
ATOM     18  C   LIG    1       -2.407  -2.678   0.466  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1       -1.708  -3.900   0.418  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -2.378  -5.128   0.433  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.767  -5.163   0.497  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.486  -3.973   0.547  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.813  -2.747   0.532  0.00  0.00    +0.011 A 
ENDBRANCH   8  18
BRANCH   1  24
ATOM     24  N   LIG    1       -2.562   2.112   0.396  0.00  0.00    -0.282 N 
ATOM     25  H   LIG    1       -2.201   2.780   1.065  0.00  0.00    +0.155 HD
BRANCH  24  31
ATOM     26  C   LIG    1       -7.239   1.644  -1.222  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1       -5.951   2.029  -0.609  0.00  0.00    +0.035 A 
ATOM     28  N   LIG    1       -5.803   3.155   0.149  0.00  0.00    -0.280 N 
ATOM     29  H   LIG    1       -6.507   3.845   0.389  0.00  0.00    +0.189 HD
ATOM     30  N   LIG    1       -4.555   3.339   0.608  0.00  0.00    -0.158 NA
ATOM     31  C   LIG    1       -3.878   2.281   0.153  0.00  0.00    +0.146 A 
ATOM     32  C   LIG    1       -4.705   1.443  -0.629  0.00  0.00    +0.068 A 
ENDBRANCH  24  31
ENDBRANCH   1  24
TORSDOF 4