REMARK  Name = BDB026346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.303  -1.392   0.364  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.113  -0.110  -0.251  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.474  -0.121  -0.988  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.558  -0.599  -0.109  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1       -2.148  -1.413   1.048  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.875  -2.222   0.708  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.854  -0.110  -0.228  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1       -4.803  -0.080   0.818  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1       -4.445  -0.508   2.042  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1       -6.076   0.377   0.732  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1       -6.457   0.841  -0.482  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1       -5.629   0.865  -1.591  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -4.326   0.384  -1.454  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.863   1.349  -0.586  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1       -8.596   1.236   0.576  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.088   0.912   1.396  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -9.919   1.780   0.710  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -8.293   1.829  -1.629  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        1.224  -2.156  -0.494  0.00  0.00    +0.122 C 
BRANCH  19  29
ATOM     20  C   LIG    1        7.125   0.432   0.197  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1        6.518   0.302   1.595  0.00  0.00    +0.271 A 
ATOM     22  O   LIG    1        7.139   0.656   2.586  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1        5.255  -0.231   1.647  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1        4.832  -0.325   2.560  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        4.577  -0.623   0.491  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1        5.205  -0.466  -0.756  0.00  0.00    +0.090 A 
ATOM     27  C   LIG    1        4.525  -0.861  -1.905  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        3.244  -1.397  -1.806  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1        2.606  -1.548  -0.571  0.00  0.00    +0.004 A 
ATOM     30  F   LIG    1        2.616  -1.771  -2.931  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        3.294  -1.162   0.590  0.00  0.00    +0.035 A 
ATOM     32  N   LIG    1        6.496   0.074  -0.887  0.00  0.00    -0.245 NA
BRANCH  20  34
ATOM     33  C   LIG    1        8.431   2.549   0.125  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1        8.505   1.034   0.100  0.00  0.00    +0.057 C 
ENDBRANCH  20  34
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5