REMARK  Name = BDB064283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.636  -0.399  -2.120  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        3.860  -0.057  -0.790  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1        2.856   0.306   0.051  0.00  0.00    -0.211 NA
ATOM      4  C   LIG    1        1.601   0.295  -0.421  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1        1.299   0.004  -1.691  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1        2.314  -0.345  -2.505  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        5.198  -0.041  -0.158  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        5.592   1.065   0.624  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        6.860   1.070   1.231  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        7.749   0.004   1.090  0.00  0.00    +0.078 A 
ATOM     11  N   LIG    1        8.963   0.149   1.744  0.00  0.00    -0.247 NA
ATOM     12  C   LIG    1        8.986   1.305   2.368  0.00  0.00    +0.157 A 
ATOM     13  C   LIG    1        7.353  -1.105   0.320  0.00  0.00    +0.029 A 
ATOM     14  S   LIG    1        7.587   2.281   2.220  0.00  0.00    -0.075 S 
ATOM     15  C   LIG    1        6.090  -1.116  -0.288  0.00  0.00    +0.012 A 
ENDBRANCH   2   7
BRANCH   1  17
ATOM     16  C   LIG    1        4.410  -1.062  -4.269  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        4.693  -0.723  -2.917  0.00  0.00    -0.491 OA
ENDBRANCH   1  17
BRANCH   4  18
ATOM     18  N   LIG    1        0.622   0.691   0.489  0.00  0.00    -0.268 N 
ATOM     19  H   LIG    1        1.079   0.765   1.387  0.00  0.00    +0.156 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -0.681   0.180   0.595  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1       -1.075  -0.898  -0.116  0.00  0.00    -0.239 NA
ATOM     22  C   LIG    1       -2.350  -1.337   0.030  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1       -3.282  -0.724   0.848  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1       -2.873   0.370   1.603  0.00  0.00    +0.018 A 
ATOM     25  C   LIG    1       -1.560   0.826   1.469  0.00  0.00    +0.044 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.642  -1.283   0.936  0.00  0.00    +0.248 C 
ATOM     27  N   LIG    1       -5.733  -0.436   0.778  0.00  0.00    -0.295 N 
ATOM     28  C   LIG    1       -7.074  -1.001   0.951  0.00  0.00    +0.123 C 
ATOM     29  C   LIG    1       -8.122   0.092   1.217  0.00  0.00    +0.100 C 
ATOM     30  N   LIG    1       -8.203   1.135   0.178  0.00  0.00    -0.313 NA
ATOM     31  H   LIG    1       -8.429   2.024   0.624  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -6.958   1.258  -0.594  0.00  0.00    +0.100 C 
ATOM     33  C   LIG    1       -5.674   0.904   0.180  0.00  0.00    +0.123 C 
ATOM     34  O   LIG    1       -4.748  -2.487   1.155  0.00  0.00    -0.270 OA
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 5