REMARK  Name = BDB042590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.349  -0.513   0.145  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        3.899  -1.054   1.440  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        2.721  -2.019   1.231  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.587  -1.398   0.537  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.330  -1.959   0.702  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.159  -2.992   1.349  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.874  -0.165  -0.210  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        3.294  -0.120  -0.811  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        5.532   1.637   0.604  0.00  0.00    +0.147 A 
ATOM     10  C   LIG    1        5.493   0.287   0.208  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        6.714  -0.314  -0.135  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1        7.905   0.408  -0.094  0.00  0.00    +0.125 A 
ATOM     13  F   LIG    1        9.052  -0.194  -0.431  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        7.923   1.743   0.292  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        6.729   2.365   0.645  0.00  0.00    +0.046 A 
BRANCH   9  17
ATOM     16  C   LIG    1        3.428   2.913   1.321  0.00  0.00    +0.135 C 
ATOM     17  N   LIG    1        4.376   2.308   0.989  0.00  0.00    -0.348 NA
ENDBRANCH   9  17
ENDBRANCH   1  10
BRANCH   5  18
ATOM     18  C   LIG    1       -0.833  -1.241   0.039  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.174  -1.877   0.410  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.332  -1.139  -0.214  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -3.535  -1.318  -1.561  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -2.930  -1.936  -2.090  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -4.542  -0.730  -2.291  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1       -4.664  -0.928  -3.494  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -5.467   0.157  -1.544  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.278   0.346  -0.159  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1       -6.163   1.190   0.546  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -7.207   1.817  -0.155  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -7.369   1.612  -1.522  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -8.373   2.223  -2.164  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -6.031   1.443   2.023  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -6.510   0.787  -2.228  0.00  0.00    +0.052 A 
ATOM     33  C   LIG    1       -4.157  -0.350   0.494  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5