REMARK  Name = BDB007179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.911  -0.908  -0.288  0.00  0.00    -0.244 N 
ATOM      2  C   LIG    1       -0.092  -0.165   0.511  0.00  0.00    +0.145 C 
ATOM      3  C   LIG    1       -1.515  -0.659   0.366  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -1.837  -1.481  -0.698  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -3.147  -1.912  -0.911  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1       -4.162  -1.523  -0.032  0.00  0.00    +0.163 A 
ATOM      7  C   LIG    1       -3.852  -0.690   1.062  0.00  0.00    +0.162 A 
ATOM      8  N   LIG    1       -0.826  -1.886  -1.554  0.00  0.00    -0.269 N 
ATOM      9  H   LIG    1       -1.037  -2.500  -2.330  0.00  0.00    +0.156 HD
ATOM     10  C   LIG    1       -2.531  -0.267   1.254  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        0.512  -1.681  -1.376  0.00  0.00    +0.312 C 
ATOM     12  O   LIG    1        1.250  -2.253  -2.179  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   2  13
ATOM     13  C   LIG    1       -0.015   1.344   0.241  0.00  0.00    -0.022 A 
ATOM     14  C   LIG    1       -0.168   1.858  -1.059  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -0.104   3.234  -1.294  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        0.113   4.108  -0.233  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        0.192   5.802  -0.522  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        0.265   3.620   1.063  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        0.200   2.244   1.300  0.00  0.00    +0.007 A 
ENDBRANCH   2  13
BRANCH   1  23
ATOM     20  C   LIG    1        5.065  -0.156   0.550  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        4.656  -0.502  -0.731  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        3.300  -0.752  -1.001  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        2.314  -0.665  -0.006  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        2.752  -0.311   1.280  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        4.105  -0.061   1.552  0.00  0.00    +0.047 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.358   0.011  -0.045  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.344   0.112   0.948  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH   1  23
BRANCH   7  28
ATOM     28  O   LIG    1       -4.901  -0.352   1.880  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -4.656   0.587   2.916  0.00  0.00    +0.277 C 
ENDBRANCH   7  28
BRANCH   6  30
ATOM     30  O   LIG    1       -5.478  -1.896  -0.150  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -5.834  -2.738  -1.236  0.00  0.00    +0.277 C 
ENDBRANCH   6  30
TORSDOF 5