REMARK  Name = BDB052305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.369   0.067  -0.007  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.057   0.130   0.510  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1        3.837  -0.088   1.918  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        2.495   0.026   2.144  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        1.934   0.303   0.915  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        4.787  -0.368   2.894  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        6.084  -0.422   2.347  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        2.866   0.340  -0.074  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        6.369  -0.215   0.962  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        0.558   0.525   0.617  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -0.423   0.474   1.615  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.765   0.695   1.290  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.152   0.966  -0.030  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -1.167   1.023  -1.023  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        0.177   0.803  -0.705  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -3.606   1.223  -0.372  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -4.506   0.146   0.081  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -4.349  -1.085  -0.711  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -5.222  -0.908  -1.945  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -6.247   0.149  -1.558  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -5.915   0.513  -0.118  0.00  0.00    +0.085 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  25
ATOM     22  N   LIG    1        6.689  -0.473  -1.951  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        6.802  -0.405  -2.955  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        6.981  -1.332  -1.508  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1        5.684   0.297  -1.425  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        5.107   1.125  -2.115  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 4