REMARK  Name = BDB013167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.698  -0.323   0.225  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -2.143   0.753   0.964  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.862   1.131   0.644  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.557   2.144   1.506  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.585   2.392   2.286  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.104   0.521  -0.366  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.622  -0.476  -1.033  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.589   1.513   1.943  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.906  -0.875  -0.719  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.370  -1.995   2.621  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.376  -1.677   1.547  0.00  0.00    -0.040 A 
ATOM     12  C   LIG    1       -4.052  -0.878   0.428  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1       -5.042  -0.595  -0.532  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -6.337  -1.092  -0.387  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -6.648  -1.869   0.720  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1       -7.892  -2.344   0.863  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -5.688  -2.161   1.683  0.00  0.00    +0.042 A 
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  N   LIG    1        1.169   0.988  -0.621  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        1.372   1.951  -0.377  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.907   0.542  -1.792  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.333   0.996  -1.682  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.232   0.414  -0.793  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.026  -0.660   0.209  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.484  -0.950   0.564  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.287   0.210   0.246  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.538   0.876  -0.689  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.011   1.927  -1.449  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.130   2.522  -2.353  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        3.812   2.057  -2.461  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        2.989   2.669  -3.325  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4