REMARK  Name = BDB019097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.876  -1.092  -0.288  0.00  0.00    +0.202 A 
ATOM      2  N   LIG    1        1.393   0.196  -0.002  0.00  0.00    -0.271 N 
ATOM      3  C   LIG    1        0.058   0.527  -0.061  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.007   1.850   0.310  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.249   2.350   0.556  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -0.842  -0.498  -0.455  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -0.294  -1.699  -0.749  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        2.067   1.341   0.337  0.00  0.00    +0.206 A 
ATOM      9  N   LIG    1        1.048  -2.027  -0.674  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.301  -0.330  -0.602  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -2.813   0.574  -1.540  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -4.193   0.745  -1.679  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -5.087   0.022  -0.877  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -4.573  -0.883   0.062  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.192  -1.056   0.199  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -6.583   0.200  -1.039  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -7.031   1.594  -0.870  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -8.427   1.725  -1.287  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -6.882   2.040   0.518  0.00  0.00    +0.104 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1        3.220  -1.375  -0.188  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        3.379  -2.262  -0.667  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.816  -1.491   1.143  0.00  0.00    +0.146 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.121  -0.403   1.245  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1        5.316  -1.536   1.028  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        5.933  -2.739   0.667  0.00  0.00    +0.132 A 
ATOM     26  F   LIG    1        5.182  -3.827   0.440  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        7.312  -2.842   0.529  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        8.105  -1.722   0.752  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        7.512  -0.507   1.109  0.00  0.00    +0.046 A 
BRANCH  23  31
ATOM     30  C   LIG    1        6.225   1.938   1.713  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        5.460   0.744   1.595  0.00  0.00    -0.495 OA
ENDBRANCH  23  31
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7