REMARK  Name = BDB014400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.543  -0.383  -0.074  0.00  0.00    +0.197 A 
ATOM      2  N   LIG    1       -2.189  -1.498  -0.544  0.00  0.00    -0.326 N 
ATOM      3  H   LIG    1       -1.740  -2.349  -0.841  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -3.542  -1.279  -0.498  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -3.665   0.003   0.032  0.00  0.00    +0.103 A 
ATOM      6  C   LIG    1       -4.954   0.545   0.217  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -6.069  -0.232  -0.140  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -5.898  -1.508  -0.663  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -6.979  -2.227  -0.994  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.635  -2.070  -0.857  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1       -2.414   0.529   0.294  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        2.660   0.340  -0.192  0.00  0.00    -0.311 N 
ATOM     13  C   LIG    1        1.964  -0.395  -1.261  0.00  0.00    +0.125 C 
ATOM     14  C   LIG    1        0.722  -1.166  -0.748  0.00  0.00    +0.127 C 
ATOM     15  N   LIG    1       -0.195  -0.311   0.014  0.00  0.00    -0.298 N 
ATOM     16  C   LIG    1        0.392   0.863   0.684  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        1.879   0.633   1.024  0.00  0.00    +0.125 C 
BRANCH  12  21
ATOM     18  C   LIG    1        6.744   0.044   0.236  0.00  0.00    +0.158 A 
ATOM     19  N   LIG    1        6.261  -0.014  -1.025  0.00  0.00    -0.240 NA
ATOM     20  C   LIG    1        4.907   0.092  -1.125  0.00  0.00    +0.155 A 
ATOM     21  C   LIG    1        4.032   0.229  -0.039  0.00  0.00    +0.140 A 
ATOM     22  N   LIG    1        4.558   0.295   1.208  0.00  0.00    -0.236 NA
ATOM     23  C   LIG    1        5.908   0.199   1.326  0.00  0.00    +0.151 A 
BRANCH  18  25
ATOM     24  N   LIG    1        9.306  -0.145   0.582  0.00  0.00    -0.189 NA
ATOM     25  C   LIG    1        8.161  -0.060   0.402  0.00  0.00    +0.121 C 
ENDBRANCH  18  25
ENDBRANCH  12  21
ENDBRANCH   1  15
BRANCH   6  26
ATOM     26  C   LIG    1       -5.165   1.901   0.774  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -6.291   2.358   0.930  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1       -4.058   2.624   1.108  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1       -3.122   2.244   0.979  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -4.173   3.551   1.490  0.00  0.00    +0.145 HD
ENDBRANCH   6  26
TORSDOF 4