REMARK  Name = BDB014402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.491  -0.402   0.140  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1        0.758  -0.105  -1.103  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.602  -0.844  -1.162  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -1.437  -0.594   0.021  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.756  -0.044   1.203  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        0.672  -0.615   1.353  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.781  -0.450  -0.053  0.00  0.00    +0.197 A 
ATOM      8  N   LIG    1       -3.521  -1.038  -1.048  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -3.151  -1.625  -1.777  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.844  -0.733  -0.853  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -4.852   0.041   0.304  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1       -6.084   0.526   0.794  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -7.260   0.208   0.092  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -7.202  -0.571  -1.058  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1       -8.339  -0.860  -1.706  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -5.999  -1.065  -1.564  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1       -3.565   0.191   0.784  0.00  0.00    -0.214 NA
BRANCH  12  18
ATOM     18  C   LIG    1       -6.174   1.355   2.017  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -7.251   1.771   2.428  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1       -5.011   1.641   2.671  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -4.117   1.293   2.333  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -5.046   2.201   3.510  0.00  0.00    +0.145 HD
ENDBRANCH  12  18
ENDBRANCH   4   7
BRANCH   1  26
ATOM     23  C   LIG    1        5.603  -0.101   0.407  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1        5.016   0.437  -0.685  0.00  0.00    -0.230 NA
ATOM     25  C   LIG    1        3.668   0.318  -0.732  0.00  0.00    +0.138 A 
ATOM     26  C   LIG    1        2.866  -0.293   0.227  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        3.617  -0.798   1.283  0.00  0.00    +0.138 A 
ATOM     28  N   LIG    1        4.961  -0.720   1.411  0.00  0.00    -0.230 NA
BRANCH  23  32
ATOM     29  C   LIG    1        9.095   0.972  -0.628  0.00  0.00    +0.128 C 
ATOM     30  N   LIG    1        7.695   0.651  -0.597  0.00  0.00    -0.312 N 
ATOM     31  H   LIG    1        7.060   1.053  -1.281  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1        7.109   0.022   0.493  0.00  0.00    +0.281 C 
ATOM     33  O   LIG    1        7.755  -0.391   1.450  0.00  0.00    -0.267 OA
ENDBRANCH  23  32
ENDBRANCH   1  26
TORSDOF 4