REMARK  Name = BDB056492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.530  -2.219   0.845  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1        0.762  -1.736   0.634  0.00  0.00    +0.222 C 
ATOM      3  O   LIG    1        1.491  -2.217  -0.235  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -0.577  -4.689   0.730  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1       -0.974  -3.378   0.068  0.00  0.00    +0.105 C 
ENDBRANCH   1   5
BRANCH   2   6
ATOM      6  C   LIG    1        1.216  -0.564   1.481  0.00  0.00    +0.153 C 
BRANCH   6   7
ATOM      7  C   LIG    1        2.625  -0.089   1.182  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1        2.908   0.678  -0.058  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        4.224   1.084  -0.268  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        4.572   1.817  -1.410  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.593   2.146  -2.346  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.274   1.745  -2.141  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.249   0.742   0.730  0.00  0.00    +0.272 A 
ATOM     14  O   LIG    1        6.420   1.076   0.586  0.00  0.00    -0.266 OA
ATOM     15  N   LIG    1        4.814   0.040   1.827  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1        5.509  -0.211   2.523  0.00  0.00    +0.192 HD
ATOM     17  C   LIG    1        1.928   1.012  -1.001  0.00  0.00    +0.010 A 
ATOM     18  N   LIG    1        3.540  -0.373   2.063  0.00  0.00    -0.175 NA
ENDBRANCH   6   7
ENDBRANCH   2   6
BRANCH   1  19
ATOM     19  C   LIG    1       -1.439  -1.720   1.883  0.00  0.00    +0.182 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.339  -0.558   1.458  0.00  0.00    +0.155 C 
ATOM     21  O   LIG    1       -2.979   0.055   2.318  0.00  0.00    -0.295 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -2.494  -0.265  -0.025  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.125   1.071  -0.300  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -4.480   1.186  -0.605  0.00  0.00    +0.130 A 
ATOM     25  F   LIG    1       -5.239   0.084  -0.691  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -5.069   2.428  -0.832  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -4.298   3.588  -0.748  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -2.942   3.493  -0.436  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -2.372   2.242  -0.212  0.00  0.00    +0.130 A 
ATOM     30  F   LIG    1       -1.067   2.166   0.089  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7