REMARK  Name = BDB030616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.818  -0.855  -0.789  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -0.564  -0.269  -0.886  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.510  -0.987  -1.548  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1        1.699  -0.092  -1.424  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1        2.260   0.288  -0.067  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1        1.263   1.178  -0.787  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1       -0.201   1.090  -0.495  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1       -2.002  -2.007  -1.192  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1       -4.923   0.457   0.541  0.00  0.00    -0.334 N 
ATOM     10  C   LIG    1       -4.216  -0.560  -0.032  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -2.925  -0.085  -0.196  0.00  0.00    +0.143 A 
ATOM     12  N   LIG    1       -2.860   1.216   0.278  0.00  0.00    -0.231 NA
ATOM     13  C   LIG    1       -4.066   1.506   0.709  0.00  0.00    +0.200 A 
BRANCH   9  15
ATOM     14  C   LIG    1       -7.234   0.265  -0.310  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -6.333   0.447   0.911  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -6.627  -0.603   1.982  0.00  0.00    +0.030 C 
ENDBRANCH   9  15
ENDBRANCH   1  11
BRANCH   5  17
ATOM     17  C   LIG    1        3.679   0.715   0.053  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1        4.641  -0.292   0.100  0.00  0.00    -0.286 N 
ATOM     19  C   LIG    1        4.322  -1.693  -0.138  0.00  0.00    +0.133 C 
ATOM     20  O   LIG    1        3.943   1.911   0.114  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        6.049   0.087   0.030  0.00  0.00    +0.124 C 
ATOM     22  C   LIG    1        7.018  -0.491   1.055  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1        6.649   0.954   1.126  0.00  0.00    +0.044 C 
BRANCH  21  24
ATOM     24  C   LIG    1        6.561   0.279  -1.318  0.00  0.00    +0.089 C 
ATOM     25  N   LIG    1        6.975   0.389  -2.397  0.00  0.00    -0.194 NA
ENDBRANCH  21  24
ENDBRANCH  18  21
ENDBRANCH   5  17
TORSDOF 5