REMARK  Name = BDB014401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.386  -0.255  -0.445  0.00  0.00    +0.197 A 
ATOM      2  N   LIG    1       -2.103  -0.981  -1.360  0.00  0.00    -0.326 N 
ATOM      3  H   LIG    1       -1.716  -1.677  -1.976  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -3.428  -0.640  -1.250  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -3.456   0.309  -0.229  0.00  0.00    +0.103 A 
ATOM      6  C   LIG    1       -4.697   0.867   0.138  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -5.860   0.450  -0.533  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -5.779  -0.503  -1.542  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -6.902  -0.883  -2.166  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.567  -1.076  -1.929  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1       -2.188   0.498   0.270  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        2.845   0.008  -0.152  0.00  0.00    -0.325 N 
ATOM     13  C   LIG    1        2.006  -0.018   1.080  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1        0.549   0.401   0.787  0.00  0.00    +0.127 C 
ATOM     15  N   LIG    1       -0.039  -0.407  -0.314  0.00  0.00    -0.298 N 
ATOM     16  C   LIG    1        0.787  -0.335  -1.539  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        2.242  -0.775  -1.256  0.00  0.00    +0.124 C 
BRANCH  12  21
ATOM     18  C   LIG    1        6.920  -0.305   0.543  0.00  0.00    +0.232 A 
ATOM     19  N   LIG    1        6.240   0.634   1.222  0.00  0.00    -0.225 NA
ATOM     20  C   LIG    1        4.913   0.698   0.957  0.00  0.00    +0.138 A 
ATOM     21  C   LIG    1        4.218  -0.127   0.076  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1        5.057  -1.034  -0.560  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1        6.390  -1.156  -0.353  0.00  0.00    -0.225 NA
BRANCH  18  25
ATOM     24  N   LIG    1        9.477  -0.495   0.997  0.00  0.00    -0.188 NA
ATOM     25  C   LIG    1        8.333  -0.408   0.794  0.00  0.00    +0.140 C 
ENDBRANCH  18  25
ENDBRANCH  12  21
ENDBRANCH   1  15
BRANCH   6  26
ATOM     26  C   LIG    1       -4.775   1.893   1.196  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -3.969   2.806   1.299  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1       -5.826   1.781   2.068  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1       -6.342   0.919   2.171  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -5.799   2.408   2.863  0.00  0.00    +0.145 HD
ENDBRANCH   6  26
TORSDOF 4