REMARK  Name = BDB051724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.115  -0.158  -1.165  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1        3.287  -0.281  -0.015  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        3.563  -0.652   1.403  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        2.302  -1.235   2.092  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        1.008  -0.576   1.681  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        0.846  -0.005   0.427  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1       -0.294   0.538  -0.024  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1       -1.331   0.509   0.820  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1       -1.290  -0.035   2.047  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -0.124  -0.572   2.453  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        2.008   0.029  -0.439  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1        2.111   0.309  -1.768  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1        1.056   0.674  -2.682  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        3.373   0.196  -2.233  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        7.728   0.103  -0.207  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        6.289   0.078  -0.169  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        5.819   0.730   0.444  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        5.573  -0.356  -1.276  0.00  0.00    +0.264 C 
ATOM     19  O   LIG    1        6.120  -0.840  -2.263  0.00  0.00    -0.268 OA
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  N   LIG    1       -2.496   1.086   0.346  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1       -2.400   1.183  -0.657  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.761   0.532   0.818  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1       -4.890   1.520   0.454  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -5.519   1.201  -0.897  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -6.147  -0.194  -0.917  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -5.475  -1.177   0.042  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -3.993  -0.869   0.217  0.00  0.00    +0.022 C 
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 3