REMARK  Name = BDB019127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.668  -1.592   0.768  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1        1.123  -0.361   0.407  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1       -0.252  -0.562   0.400  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.199   0.444   0.107  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.780   1.647  -0.172  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        0.578   1.867  -0.198  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.476  -1.868   0.734  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1        1.545   0.959   0.064  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1        0.642  -2.521   0.933  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.926   1.448  -0.107  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.632   2.125   0.899  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        3.043   2.348   2.263  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1        4.887   2.616   0.710  0.00  0.00    -0.260 NA
ATOM     14  C   LIG    1        5.454   2.437  -0.502  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        4.835   1.784  -1.552  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        3.554   1.282  -1.349  0.00  0.00    +0.012 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     17  C   LIG    1        3.061  -2.002   0.992  0.00  0.00    +0.360 C 
ATOM     18  O   LIG    1        3.413  -3.176   1.052  0.00  0.00    -0.243 OA
BRANCH  17  19
ATOM     19  O   LIG    1        3.913  -0.956   1.170  0.00  0.00    -0.460 OA
BRANCH  19  21
ATOM     20  C   LIG    1        6.067  -1.617   0.249  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        5.269  -1.290   1.498  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   4  22
ATOM     22  N   LIG    1       -2.540   0.121   0.126  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.773  -0.836  -0.123  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.534   1.043  -0.407  0.00  0.00    +0.146 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.927   0.493  -0.212  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -5.316  -0.767  -0.708  0.00  0.00    +0.127 A 
ATOM     27  C   LIG    1       -6.630  -1.216  -0.518  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -7.563  -0.418   0.149  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -7.190   0.832   0.629  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -5.885   1.276   0.444  0.00  0.00    +0.132 A 
ATOM     31  F   LIG    1       -5.558   2.492   0.906  0.00  0.00    -0.205 F 
BRANCH  26  32
ATOM     32  O   LIG    1       -4.335  -1.489  -1.343  0.00  0.00    -0.495 OA
ATOM     33  C   LIG    1       -4.726  -2.696  -1.990  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 8