REMARK  Name = BDB019031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.313  -0.066   0.755  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1       -1.675   1.035   0.130  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.305   0.967  -0.006  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.090   2.151  -0.571  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -0.933   2.930  -0.855  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        0.452  -0.137   0.423  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.141  -1.136   1.022  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -2.038   2.244  -0.416  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1       -1.514  -1.074   1.170  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -7.881  -0.438   1.834  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1       -6.420  -0.322   1.530  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1       -5.988  -0.799   0.348  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1       -4.660  -0.716   0.087  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -4.221  -1.246  -1.248  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1       -3.758  -0.173   0.993  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -4.312   0.279   2.177  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1       -5.627   0.214   2.473  0.00  0.00    -0.240 NA
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1        1.817  -0.176   0.243  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        2.166  -0.950   0.811  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.349  -0.351  -1.108  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.844  -0.487  -1.057  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.679   0.535  -0.614  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.350   1.875  -0.068  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.742   2.505  -0.091  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.736   1.455  -0.090  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.058   0.364  -0.568  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.669  -0.812  -0.952  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.855  -1.845  -1.413  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.465  -1.676  -1.464  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.716  -2.695  -1.910  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4