REMARK  Name = BDB007870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.169  -2.542   0.995  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1       -1.080  -2.254  -0.213  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1       -0.794  -2.240  -1.401  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -2.350  -1.984   0.282  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -2.371  -1.892   1.718  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1       -0.905  -1.735   2.079  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        4.092  -2.007   0.460  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1        3.361  -3.239  -0.075  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1        1.863  -2.987  -0.271  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        1.237  -2.139   0.767  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1        2.037  -2.100   1.991  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        3.399  -1.451   1.713  0.00  0.00    +0.027 C 
BRANCH   7  14
ATOM     13  O   LIG    1        5.142  -1.396  -1.623  0.00  0.00    -0.292 OA
ATOM     14  C   LIG    1        4.413  -1.046  -0.691  0.00  0.00    +0.166 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.938   0.354  -0.700  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        2.578   0.668  -0.795  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        2.180   2.006  -0.835  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        3.141   3.012  -0.793  0.00  0.00    +0.123 A 
ATOM     19  F   LIG    1        2.760   4.296  -0.840  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        4.497   2.707  -0.721  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        4.900   1.372  -0.681  0.00  0.00    +0.014 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1       -3.477  -1.602  -0.550  0.00  0.00    +0.182 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.400  -0.102  -0.791  0.00  0.00    +0.127 A 
ATOM     24  N   LIG    1       -2.380   0.318  -1.606  0.00  0.00    -0.309 N 
ATOM     25  H   LIG    1       -1.693  -0.349  -1.949  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -2.099   1.639  -1.793  0.00  0.00    +0.257 A 
ATOM     27  O   LIG    1       -1.094   2.031  -2.374  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -3.083   2.569  -1.213  0.00  0.00    +0.064 A 
ATOM     29  C   LIG    1       -2.901   4.031  -1.459  0.00  0.00    +0.202 C 
ATOM     30  O   LIG    1       -4.058   4.794  -1.079  0.00  0.00    -0.375 OA
ATOM     31  C   LIG    1       -4.555   4.409   0.203  0.00  0.00    +0.166 C 
ATOM     32  C   LIG    1       -5.088   2.976   0.151  0.00  0.00    +0.084 C 
ATOM     33  C   LIG    1       -4.082   2.048  -0.481  0.00  0.00    +0.056 A 
ATOM     34  N   LIG    1       -4.241   0.706  -0.224  0.00  0.00    -0.237 NA
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5