REMARK  Name = BDB012380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.448  -1.289  -1.224  0.00  0.00    +0.270 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.918   0.793  -1.139  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -0.763   0.142  -1.617  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1        0.088   0.814  -2.516  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.181   2.124  -2.902  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.304   2.761  -2.395  0.00  0.00    +0.127 A 
ATOM      7  F   LIG    1       -1.561   4.026  -2.756  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -2.170   2.113  -1.519  0.00  0.00    +0.084 A 
BRANCH   2   9
ATOM      9  O   LIG    1       -2.706   0.066  -0.286  0.00  0.00    -0.484 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -4.872  -0.754   0.261  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1       -4.051   0.503  -0.034  0.00  0.00    +0.201 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.121   1.451   1.150  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1       -5.048   2.505   1.148  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -5.133   3.379   2.234  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.298   3.206   3.336  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.380   2.159   3.356  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.294   1.284   2.271  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   2   9
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  O   LIG    1        0.954  -1.511  -1.034  0.00  0.00    -0.471 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.492  -1.108   0.125  0.00  0.00    +0.220 A 
ATOM     20  N   LIG    1        2.855  -1.260   0.386  0.00  0.00    -0.182 N 
ATOM     21  N   LIG    1        3.181  -0.795   1.633  0.00  0.00    -0.170 NA
ATOM     22  C   LIG    1        2.036  -0.327   2.124  0.00  0.00    +0.138 A 
ATOM     23  C   LIG    1        0.962  -0.494   1.243  0.00  0.00    +0.088 A 
BRANCH  20  24
ATOM     24  C   LIG    1        3.866  -1.826  -0.463  0.00  0.00    +0.158 A 
ATOM     25  N   LIG    1        3.522  -2.317  -1.683  0.00  0.00    -0.236 NA
ATOM     26  C   LIG    1        4.495  -2.835  -2.462  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1        5.818  -2.909  -2.080  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1        6.157  -2.424  -0.819  0.00  0.00    +0.064 A 
ATOM     29  C   LIG    1        5.180  -1.856  -0.000  0.00  0.00    +0.063 A 
BRANCH  28  30
ATOM     30  C   LIG    1        7.576  -2.493  -0.406  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        8.496  -2.364  -1.194  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        7.749  -2.760   0.905  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        6.942  -2.991   1.401  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  20  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9