REMARK  Name = BDB013236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.692   0.012   0.109  0.00  0.00    +0.111 A 
ATOM      2  C   LIG    1        1.964  -0.413   1.266  0.00  0.00    +0.189 A 
ATOM      3  N   LIG    1        0.611  -0.625   1.125  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1        0.176  -1.089   2.332  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.177  -1.116   3.182  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.076  -0.420  -0.071  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.582  -0.050  -1.134  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        2.302  -0.700   2.509  0.00  0.00    -0.127 NA
ATOM      9  C   LIG    1        1.941   0.164  -1.008  0.00  0.00    +0.144 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.264   1.184   1.795  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        6.106   0.817   0.952  0.00  0.00    +0.057 A 
ATOM     12  N   LIG    1        6.226   0.732  -0.401  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1        5.043   0.361  -0.855  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        4.824   0.003  -2.281  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1        4.088   0.272   0.172  0.00  0.00    -0.299 N 
ATOM     16  C   LIG    1        4.822   0.512   1.326  0.00  0.00    +0.116 A 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1       -1.433  -0.630  -0.151  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.682  -0.686  -1.138  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.338   0.321   0.490  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.745  -0.185   0.390  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.549   0.035  -0.724  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.255   0.729  -2.002  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.672   0.821  -2.569  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.489  -0.204  -1.960  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.833  -0.493  -0.792  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.373  -1.256   0.224  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.588  -1.485   1.353  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.293  -0.955   1.426  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.560  -1.204   2.521  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4