REMARK  Name = BDB051462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.437  -0.245   0.214  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.109  -0.377  -0.239  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.869  -1.029  -1.443  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.507  -0.986  -1.591  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.991  -1.388  -2.358  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.957  -0.327  -0.514  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -3.879  -1.572  -2.241  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.191  -1.436  -1.780  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.915   0.043   0.319  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.470  -0.785  -0.575  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.481  -0.098  -0.327  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.416  -0.296  -1.351  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.780  -0.069  -1.125  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.247   0.365   0.122  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        2.313   0.570   1.144  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        0.949   0.342   0.919  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.673   0.589   0.313  0.00  0.00    +0.089 A 
ATOM     18  N   LIG    1        5.609   0.365  -0.676  0.00  0.00    -0.236 NA
ATOM     19  C   LIG    1        6.769   0.674  -0.145  0.00  0.00    +0.197 A 
ATOM     20  N   LIG    1        6.630   1.089   1.147  0.00  0.00    -0.350 N 
ATOM     21  H   LIG    1        7.380   1.379   1.760  0.00  0.00    +0.166 HD
ATOM     22  C   LIG    1        5.297   1.041   1.457  0.00  0.00    +0.112 A 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1       -3.743   0.956   2.213  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -2.781   0.880   1.887  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -3.943   1.436   3.077  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -4.774   0.439   1.485  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -5.933   0.541   1.871  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3