REMARK  Name = BDB063680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.156  -0.182  -1.249  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.689   0.511  -2.466  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.608  -0.321  -3.199  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.545  -0.735  -2.367  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.015  -1.417  -1.161  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.055  -0.633  -0.362  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.539   1.210   0.788  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.072  -0.023   1.097  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        3.980  -0.430   0.408  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.568  -1.679   0.686  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.287   0.316  -0.575  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.839   1.574  -0.854  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.967   2.033  -0.170  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.424   0.980   3.219  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.205   0.774   2.485  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.740  -0.131   2.506  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        6.750   1.670   1.542  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.273   2.753   1.308  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.402   0.416  -2.034  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.721   0.010  -1.419  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.106   0.506  -0.171  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1       -2.290   1.338   0.498  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.327   0.145   0.398  0.00  0.00    +0.085 A 
ATOM     24  C   LIG    1       -5.192  -0.722  -0.275  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -6.464  -1.082   0.351  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1       -6.803  -0.588   1.555  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -5.878   0.342   2.276  0.00  0.00    +0.252 A 
ATOM     28  O   LIG    1       -6.161   0.808   3.375  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1       -8.086  -0.916   2.249  0.00  0.00    +0.049 C 
ATOM     30  C   LIG    1       -4.821  -1.224  -1.526  0.00  0.00    +0.010 A 
ATOM     31  N   LIG    1       -4.699   0.648   1.652  0.00  0.00    -0.320 N 
ATOM     32  H   LIG    1       -4.076   1.278   2.143  0.00  0.00    +0.169 HD
ATOM     33  C   LIG    1       -3.595  -0.858  -2.093  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4