REMARK  Name = BDB054476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.750  -0.406   0.429  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1        0.274  -1.068   1.028  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1       -3.792   0.472  -0.573  0.00  0.00    -0.244 N 
ATOM      4  C   LIG    1       -2.430   0.612  -0.647  0.00  0.00    +0.164 A 
ATOM      5  C   LIG    1       -2.205   1.611  -1.571  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -0.882   1.932  -1.818  0.00  0.00    +0.127 A 
ATOM      7  N   LIG    1        0.092   1.265  -1.155  0.00  0.00    -0.222 NA
ATOM      8  C   LIG    1       -0.236   0.299  -0.268  0.00  0.00    +0.221 A 
ATOM      9  C   LIG    1       -3.485   2.009  -1.994  0.00  0.00    +0.146 A 
ATOM     10  N   LIG    1       -1.496  -0.075   0.032  0.00  0.00    -0.195 NA
ATOM     11  N   LIG    1       -4.463   1.323  -1.392  0.00  0.00    -0.177 NA
BRANCH   3  13
ATOM     12  C   LIG    1       -5.332  -1.456  -0.566  0.00  0.00    +0.032 C 
ATOM     13  C   LIG    1       -4.522  -0.467   0.272  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1       -5.407   0.263   1.281  0.00  0.00    +0.032 C 
ENDBRANCH   3  13
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1        2.095  -0.347   0.412  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1        2.908   0.457  -0.345  0.00  0.00    +0.109 A 
ATOM     17  N   LIG    1        4.213   0.148  -0.048  0.00  0.00    -0.344 N 
ATOM     18  C   LIG    1        5.343   0.696  -0.768  0.00  0.00    +0.149 C 
ATOM     19  C   LIG    1        4.257  -0.804   0.952  0.00  0.00    +0.106 A 
ATOM     20  C   LIG    1        2.937  -1.154   1.208  0.00  0.00    +0.055 A 
BRANCH  19  21
ATOM     21  C   LIG    1        5.424  -1.376   1.582  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1        5.502  -2.531   1.987  0.00  0.00    -0.269 OA
ATOM     23  N   LIG    1        6.464  -0.516   1.796  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1        6.264   0.470   1.879  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        7.177  -0.885   2.413  0.00  0.00    +0.145 HD
ENDBRANCH  19  21
ENDBRANCH   1  15
TORSDOF 4