REMARK  Name = BDB019139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.703  -0.981   0.002  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -1.298   0.380  -0.120  0.00  0.00    +0.086 A 
ATOM      3  N   LIG    1        0.043   0.596  -0.377  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.227   1.949  -0.478  0.00  0.00    +0.207 A 
ATOM      5  N   LIG    1       -0.881   2.613  -0.236  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        0.978  -0.445  -0.518  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.590  -1.690  -0.434  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -1.847   1.649  -0.045  0.00  0.00    +0.097 A 
ATOM      9  C   LIG    1       -0.742  -1.920  -0.156  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.511  -2.294  -2.021  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -3.916  -2.072  -0.591  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.062  -1.453   0.336  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -3.538  -1.272   1.641  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.817  -1.698   1.981  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -5.584  -2.303   1.003  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -5.163  -2.504  -0.264  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   8  17
ATOM     17  C   LIG    1       -3.225   1.995   0.232  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.265   1.552  -0.593  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -5.588   1.889  -0.300  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -5.877   2.687   0.806  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.844   3.156   1.617  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.521   2.815   1.328  0.00  0.00    +0.010 A 
ENDBRANCH   8  17
BRANCH   6  23
ATOM     23  N   LIG    1        2.304  -0.172  -0.765  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        2.730  -1.032  -1.106  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.127   0.332   0.331  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.516   0.599  -0.166  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        5.484  -0.396  -0.268  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.404  -1.848   0.022  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        6.892  -2.197  -0.035  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        7.578  -1.202  -0.828  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        6.746  -0.113  -0.775  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        7.105   1.149  -1.205  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        6.153   2.163  -1.107  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        4.879   1.883  -0.596  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        3.986   2.881  -0.524  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5