REMARK  Name = BDB062298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.364   5.007   0.952  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.679   3.680   0.445  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.361   2.747   0.191  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.039   1.460  -0.263  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        1.086   0.513  -0.372  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.426   0.831  -0.121  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.723   2.133   0.271  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.376   1.105  -0.591  0.00  0.00    +0.084 A 
ATOM      9  N   LIG    1       -1.574  -0.112  -1.242  0.00  0.00    -0.337 N 
ATOM     10  H   LIG    1       -0.772  -0.462  -1.752  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -2.544  -1.145  -0.910  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -3.873  -0.576  -0.424  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -4.216   0.691  -1.187  0.00  0.00    +0.231 C 
ATOM     14  O   LIG    1       -3.710   1.844  -0.527  0.00  0.00    -0.485 OA
ATOM     15  C   LIG    1       -2.354   1.996  -0.291  0.00  0.00    +0.207 A 
ATOM     16  C   LIG    1        1.706   3.077   0.432  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -2.015   3.333   0.319  0.00  0.00    +0.295 A 
ATOM     18  O   LIG    1       -2.928   4.090   0.659  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  19
ATOM     19  C   LIG    1       -1.879  -2.149   0.002  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -2.620  -2.933   1.060  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -1.632  -1.872   1.466  0.00  0.00    +0.005 C 
ENDBRANCH  11  19
BRANCH   6  22
ATOM     22  N   LIG    1        3.466  -0.116  -0.188  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        4.367   0.299  -0.418  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.460  -1.522  -0.037  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        4.375  -2.336  -0.731  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        4.274  -3.713  -0.575  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1        5.322  -4.830  -1.363  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1        3.352  -4.329   0.199  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        2.489  -3.535   0.857  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        2.502  -2.154   0.767  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1        5.376  -1.767  -1.574  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        6.180  -1.250  -2.233  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 4