REMARK  Name = BDB022942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.210  -1.045   1.360  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.836  -0.908   1.571  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.368  -0.866   2.967  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1       -0.467   0.551   3.548  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        1.047  -1.452   3.095  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1        1.985  -0.907   2.069  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        1.534  -0.399   0.867  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        2.377   0.069  -0.082  0.00  0.00    -0.218 NA
ATOM      9  C   LIG    1        3.690   0.027   0.173  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        4.214  -0.473   1.298  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.352  -0.931   2.223  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        0.057  -0.322   0.559  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -2.978  -1.282   2.296  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -4.234  -0.591  -0.127  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -2.730  -0.980  -0.078  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -2.528  -2.344  -0.746  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -2.960  -2.318  -2.216  0.00  0.00    +0.085 C 
ATOM     18  N   LIG    1       -4.027  -1.349  -2.498  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -4.740  -1.697  -3.725  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -4.948  -1.204  -1.362  0.00  0.00    +0.093 C 
BRANCH  14  26
ATOM     21  C   LIG    1       -5.004   3.539   2.648  0.00  0.00    +0.065 C 
ATOM     22  C   LIG    1       -4.730   2.899   1.321  0.00  0.00    +0.038 A 
ATOM     23  N   LIG    1       -4.575   3.717   0.255  0.00  0.00    -0.260 NA
ATOM     24  C   LIG    1       -4.317   3.136  -0.936  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -4.206   1.768  -1.122  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -4.376   0.924  -0.022  0.00  0.00    -0.039 A 
ATOM     27  C   LIG    1       -4.636   1.512   1.222  0.00  0.00    +0.027 A 
ENDBRANCH  14  26
ENDBRANCH   1  15
BRANCH   9  28
ATOM     28  N   LIG    1        4.502   0.538  -0.830  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        3.909   0.552  -1.654  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.816  -0.085  -0.985  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        6.282   0.062  -2.445  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        7.197   1.266  -2.599  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        8.392   1.133  -1.831  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        8.234   0.468  -0.578  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        6.823   0.563  -0.021  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 4