REMARK  Name = BDB022846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.589  -3.712   0.845  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.465  -2.671   0.865  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.633  -1.555  -0.081  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.845  -0.856  -0.106  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.729  -1.066   0.731  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.627  -0.822  -0.274  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.224  -0.392   1.057  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        0.860  -1.038   2.231  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        1.470  -0.571   3.371  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        2.380   0.420   3.376  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        2.682   0.978   2.196  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.140   0.601   1.029  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.179  -2.127   2.275  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.056   0.149  -1.256  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.451   0.822  -1.157  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.579  -0.138  -1.618  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -4.321  -0.811  -2.905  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -5.415  -1.731  -3.222  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -3.039  -1.518  -2.896  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -1.889  -0.552  -2.612  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.448   2.199  -1.824  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -3.869   2.418  -3.142  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -3.841   3.697  -3.701  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.389   4.778  -2.954  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.959   4.579  -1.646  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.987   3.302  -1.087  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        3.589   2.022   2.126  0.00  0.00    -0.308 N 
ATOM     28  H   LIG    1        3.885   2.062   1.157  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        4.716   1.898   3.044  0.00  0.00    +0.161 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.751   0.856   2.713  0.00  0.00    +0.080 A 
ATOM     31  N   LIG    1        6.747   1.124   1.854  0.00  0.00    -0.175 NA
ATOM     32  N   LIG    1        7.447  -0.023   1.803  0.00  0.00    -0.274 N 
ATOM     33  C   LIG    1        8.623  -0.093   0.971  0.00  0.00    +0.172 C 
ATOM     34  C   LIG    1        6.932  -1.012   2.580  0.00  0.00    +0.108 A 
ATOM     35  C   LIG    1        5.835  -0.469   3.206  0.00  0.00    +0.046 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 5