REMARK  Name = BDB022869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.675   2.036  -1.805  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.134   1.361  -0.504  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.298  -0.093  -0.678  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.498  -0.786  -0.823  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.497  -1.956  -1.210  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.063  -0.861  -0.910  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.151  -0.340  -0.169  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.095   0.843   0.545  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.260   1.202   1.182  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.399   0.491   1.108  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.372  -0.633   0.386  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.286  -1.070  -0.265  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.164   1.641   0.659  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.813  -0.064  -0.486  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -4.910  -1.062  -0.010  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -6.129  -1.111  -0.963  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -5.682  -1.245  -2.348  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.780  -1.545  -3.258  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.879  -0.113  -2.811  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -4.301   0.755  -1.686  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -5.342  -0.761   1.424  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -6.029   0.417   1.759  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -6.399   0.673   3.081  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.083  -0.239   4.085  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.396  -1.409   3.768  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.026  -1.667   2.448  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.486  -1.436   0.259  0.00  0.00    -0.311 N 
ATOM     28  H   LIG    1        4.280  -2.071  -0.505  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.833  -0.880   0.251  0.00  0.00    +0.073 C 
ATOM     30  C   LIG    1        6.309  -0.459   1.645  0.00  0.00    +0.022 C 
ATOM     31  C   LIG    1        7.755   0.037   1.607  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1        7.941   1.165   0.582  0.00  0.00    -0.014 C 
ATOM     33  C   LIG    1        9.399   1.617   0.538  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        7.470   0.724  -0.811  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1        6.023   0.230  -0.790  0.00  0.00    +0.022 C 
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 4