REMARK  Name = BDB013199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.417   0.020   0.287  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.922  -0.144  -1.033  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.577   0.056  -1.224  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.358  -0.192  -2.548  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.491  -0.500  -3.138  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.306   0.417  -0.196  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.158   0.552   1.018  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.481  -0.469  -2.181  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.508   0.348   1.230  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.764  -2.678   0.271  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        4.455  -1.414   0.691  0.00  0.00    -0.024 A 
ATOM     12  C   LIG    1        3.828  -0.159   0.688  0.00  0.00    -0.007 A 
ATOM     13  C   LIG    1        4.566   0.970   1.071  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        5.900   0.825   1.443  0.00  0.00    +0.107 A 
ATOM     15  N   LIG    1        6.520  -0.382   1.449  0.00  0.00    -0.254 NA
ATOM     16  C   LIG    1        5.794  -1.457   1.067  0.00  0.00    +0.115 A 
BRANCH  14  17
ATOM     17  C   LIG    1        6.687   2.046   1.865  0.00  0.00    +0.390 C 
ATOM     18  F   LIG    1        6.210   2.601   3.018  0.00  0.00    -0.202 F 
ATOM     19  F   LIG    1        6.647   3.046   0.938  0.00  0.00    -0.202 F 
ENDBRANCH  14  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -1.638   0.612  -0.496  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.869   0.874  -1.447  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.543   1.199   0.479  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.956   1.055  -0.006  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.624  -0.167   0.001  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.148  -1.513   0.401  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.487  -2.252   0.420  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.425  -1.550  -0.428  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.920  -0.278  -0.487  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.609   0.802  -1.001  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.963   2.038  -1.012  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.655   2.154  -0.521  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.060   3.354  -0.569  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5