REMARK  Name = BDB051177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.206  -1.707  -0.213  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -1.760  -0.487  -0.222  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -0.966   0.570  -0.009  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.347   0.473   0.221  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1        0.911  -0.744   0.230  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.143  -1.873   0.027  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.290  -0.885   0.497  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1        2.926   0.372   0.954  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        4.403   0.119   1.333  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        5.180  -0.468   0.218  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        6.556  -0.732   0.632  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        4.520  -1.714  -0.229  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        3.038  -1.500  -0.622  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1       -1.994  -2.865  -0.392  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -1.509  -3.570  -0.933  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1       -6.898  -2.258   0.160  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1       -5.518  -2.680  -0.156  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1       -5.238  -3.818  -0.857  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1       -5.892  -4.493  -1.240  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1       -3.926  -4.037  -1.032  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1       -3.336  -2.995  -0.442  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1       -4.291  -2.126   0.134  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1       -1.624   1.798  -0.038  0.00  0.00    -0.283 N 
ATOM     24  H   LIG    1       -2.600   1.628  -0.239  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -1.210   3.130   0.052  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -2.188   4.138   0.039  0.00  0.00    +0.064 A 
ATOM     27  C   LIG    1       -1.831   5.481   0.147  0.00  0.00    +0.160 A 
ATOM     28  F   LIG    1       -2.790   6.417   0.127  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -0.500   5.846   0.275  0.00  0.00    +0.159 A 
ATOM     30  F   LIG    1       -0.158   7.138   0.379  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1        0.487   4.872   0.299  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        0.129   3.523   0.192  0.00  0.00    +0.026 A 
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 5