REMARK  Name = BDB046623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.228   0.274   0.808  0.00  0.00    +0.113 C 
ATOM      2  C   LIG    1        0.787  -0.771   0.290  0.00  0.00    +0.115 C 
ATOM      3  N   LIG    1        0.377  -1.349  -1.002  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        1.071  -1.992  -1.380  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -0.922  -1.886  -0.994  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.911  -1.428  -0.109  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -3.201  -1.945  -0.130  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -3.556  -2.900  -1.081  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.601  -3.313  -2.001  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -2.933  -4.214  -2.933  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -4.163  -1.472   0.875  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1       -5.310  -1.902   0.902  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -3.693  -0.545   1.777  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -4.352  -0.192   2.465  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -2.452   0.023   1.776  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -1.299  -2.810  -1.972  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -1.603  -0.378   0.876  0.00  0.00    +0.082 A 
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        2.214  -0.245   0.218  0.00  0.00    -0.026 A 
ATOM     19  C   LIG    1        2.692   0.450  -0.907  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        3.995   0.948  -0.938  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        4.829   0.753   0.155  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1        6.080   1.230   0.127  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.382   0.072   1.281  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        3.077  -0.424   1.315  0.00  0.00    +0.008 A 
ENDBRANCH   2  18
BRANCH   1  27
ATOM     25  C   LIG    1        0.573   3.114   1.761  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        0.041   2.782   0.460  0.00  0.00    -0.271 N 
ATOM     27  C   LIG    1       -0.334   1.543  -0.008  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -0.784   1.770  -1.297  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1       -0.631   3.148  -1.508  0.00  0.00    +0.134 A 
ATOM     30  N   LIG    1       -0.122   3.767  -0.444  0.00  0.00    -0.180 NA
ENDBRANCH   1  27
TORSDOF 2