REMARK  Name = BDB013226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.578  -0.167  -0.672  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.833   0.855  -1.312  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.535   0.738  -1.295  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.002   1.846  -1.941  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.007   2.583  -2.346  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.212  -0.331  -0.690  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.515  -1.260  -0.090  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.169   1.956  -1.951  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.862  -1.156  -0.094  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.750  -0.394  -0.473  0.00  0.00    +0.318 A 
ATOM     11  N   LIG    1        5.163   0.573   0.251  0.00  0.00    -0.200 NA
ATOM     12  C   LIG    1        3.812   0.661   0.185  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        3.196   1.763   0.998  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1        3.045  -0.208  -0.584  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        3.769  -1.159  -1.285  0.00  0.00    +0.126 A 
ATOM     16  N   LIG    1        5.109  -1.279  -1.245  0.00  0.00    -0.203 NA
BRANCH  10  17
ATOM     17  O   LIG    1        7.120  -0.537  -0.450  0.00  0.00    -0.463 OA
BRANCH  17  19
ATOM     18  C   LIG    1        9.269   0.187   0.274  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        7.773   0.434   0.362  0.00  0.00    +0.229 C 
ENDBRANCH  17  19
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  N   LIG    1       -2.590  -0.364  -0.738  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.042   0.117  -1.508  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.322  -1.546  -0.312  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.784  -1.219  -0.225  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.319  -0.477   0.824  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.668   0.062   2.042  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.789   0.976   2.539  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.047   0.523   1.988  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.678  -0.196   0.882  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.562  -0.630  -0.086  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -7.046  -1.359  -1.157  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.675  -1.641  -1.220  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -5.214  -2.338  -2.269  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6