REMARK  Name = BDB052261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.988   0.749   0.237  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        3.858   1.743   0.627  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        3.603   2.592   1.107  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        5.133   1.398   0.257  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        4.991   0.164  -0.367  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        6.136  -0.480  -0.875  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        7.383   0.157  -0.727  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        7.487   1.398  -0.094  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        6.359   2.048   0.415  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        3.661  -0.215  -0.368  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -1.275   0.737   0.855  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -0.498   1.801   1.329  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        0.890   1.820   1.135  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.537   0.773   0.465  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        0.755  -0.293  -0.002  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -0.629  -0.314   0.191  0.00  0.00    +0.004 A 
BRANCH  11  19
ATOM     17  N   LIG    1       -4.269  -0.832   0.088  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -3.619   0.454  -0.180  0.00  0.00    +0.093 C 
ATOM     19  C   LIG    1       -2.772   0.730   1.081  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1       -3.212  -0.342   2.088  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -4.524  -0.864   1.525  0.00  0.00    +0.085 C 
BRANCH  17  23
ATOM     22  C   LIG    1       -4.958  -1.404  -2.203  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -5.415  -1.190  -0.754  0.00  0.00    +0.050 C 
ATOM     24  C   LIG    1       -6.601  -0.220  -0.721  0.00  0.00    +0.024 C 
ENDBRANCH  17  23
ENDBRANCH  11  19
ENDBRANCH   1  14
BRANCH   6  25
ATOM     25  C   LIG    1        6.067  -1.796  -1.553  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        7.072  -2.345  -1.990  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        4.839  -2.377  -1.673  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        4.761  -3.274  -2.128  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        4.005  -1.922  -1.308  0.00  0.00    +0.145 HD
ENDBRANCH   6  25
TORSDOF 4