REMARK  Name = BDB052292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.438  -0.112   0.511  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        3.075  -0.394   0.268  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1        2.681  -1.716  -0.142  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        1.326  -1.703  -0.304  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        0.923  -0.420  -0.002  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        3.498  -2.821  -0.345  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        4.850  -2.511  -0.095  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        1.974   0.380   0.345  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        5.303  -1.218   0.314  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -0.404   0.103  -0.020  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1       -1.499  -0.700  -0.371  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -2.800  -0.167  -0.391  0.00  0.00    -0.028 A 
ATOM     13  C   LIG    1       -3.972  -1.062  -0.735  0.00  0.00    +0.116 C 
ATOM     14  N   LIG    1       -5.173  -0.325  -1.146  0.00  0.00    -0.312 NA
ATOM     15  H   LIG    1       -4.970   0.137  -2.033  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -5.487   0.698  -0.142  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -4.393   1.770  -0.065  0.00  0.00    +0.050 C 
ATOM     18  C   LIG    1       -3.005   1.176  -0.028  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1       -1.911   1.978   0.313  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -0.620   1.446   0.320  0.00  0.00    +0.028 A 
ENDBRANCH   5  10
BRANCH   1  24
ATOM     21  N   LIG    1        4.054   2.208   1.099  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        4.381   3.118   1.389  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        3.061   2.055   0.937  0.00  0.00    +0.145 HD
ATOM     24  C   LIG    1        4.957   1.200   0.933  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1        6.154   1.377   1.127  0.00  0.00    -0.270 OA
ENDBRANCH   1  24
TORSDOF 2