REMARK  Name = BDB031372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.264  -0.692  -1.175  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.762  -2.076  -1.342  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.590  -2.119  -2.355  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.525  -1.182  -2.087  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.049   0.176  -1.914  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.192   0.284  -0.876  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.891  -0.398   0.895  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        4.839   0.294   1.397  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        3.675   0.187   0.713  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        2.650   0.876   1.242  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.467  -0.588  -0.449  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.605  -1.266  -0.916  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.824  -1.182  -0.245  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.230   0.713   3.649  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.130   0.564   2.735  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.216   0.947   2.965  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.181  -0.283   1.649  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.177  -0.911   1.309  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.314  -1.617  -0.922  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.605  -0.849  -0.763  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.890  -0.174   0.426  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1       -2.003  -0.192   1.434  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.085   0.528   0.585  0.00  0.00    +0.088 A 
ATOM     24  N   LIG    1       -4.349   1.205   1.793  0.00  0.00    -0.304 N 
ATOM     25  H   LIG    1       -3.655   1.165   2.530  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -5.487   1.929   2.070  0.00  0.00    +0.332 A 
ATOM     27  N   LIG    1       -6.415   1.949   1.009  0.00  0.00    -0.269 N 
ATOM     28  C   LIG    1       -6.248   1.316  -0.217  0.00  0.00    +0.060 A 
ATOM     29  C   LIG    1       -7.369   1.568  -0.986  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -8.245   2.372  -0.219  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -7.639   2.591   0.997  0.00  0.00    +0.096 A 
ATOM     32  O   LIG    1       -5.721   2.517   3.116  0.00  0.00    -0.246 OA
ATOM     33  C   LIG    1       -5.025   0.564  -0.453  0.00  0.00    +0.025 A 
ATOM     34  C   LIG    1       -4.755  -0.109  -1.647  0.00  0.00    +0.012 A 
ATOM     35  C   LIG    1       -3.554  -0.812  -1.799  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4