REMARK  Name = BDB018931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.541  -0.699  -0.598  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        2.396  -0.341  -1.323  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.240   0.053  -0.617  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        1.185   0.104   0.788  0.00  0.00    +0.038 A 
ATOM      5  N   LIG    1        0.009   0.505   1.465  0.00  0.00    -0.300 N 
ATOM      6  C   LIG    1        0.165   0.889   2.877  0.00  0.00    +0.111 C 
ATOM      7  C   LIG    1        1.017  -0.138   3.610  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        2.406  -0.173   2.998  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        2.352  -0.245   1.494  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        3.513  -0.635   0.802  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.294   0.641   0.934  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1       -2.050   1.798   1.146  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -3.309   1.861   0.584  0.00  0.00    +0.072 A 
ATOM     14  N   LIG    1       -4.234   2.912   0.628  0.00  0.00    -0.295 N 
ATOM     15  C   LIG    1       -5.374   2.550  -0.110  0.00  0.00    +0.330 A 
ATOM     16  N   LIG    1       -5.130   1.250  -0.605  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1       -6.053   0.530  -1.429  0.00  0.00    +0.154 C 
ATOM     18  O   LIG    1       -6.374   3.229  -0.289  0.00  0.00    -0.246 OA
ATOM     19  C   LIG    1       -4.037   4.168   1.290  0.00  0.00    +0.154 C 
ATOM     20  C   LIG    1       -3.860   0.814  -0.172  0.00  0.00    +0.073 A 
ATOM     21  C   LIG    1       -3.165  -0.374  -0.391  0.00  0.00    -0.017 A 
ATOM     22  C   LIG    1       -1.866  -0.412   0.172  0.00  0.00    +0.029 A 
BRANCH  21  23
ATOM     23  C   LIG    1       -3.689  -1.547  -1.188  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1       -4.765  -2.437  -0.606  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -3.379  -2.972  -0.775  0.00  0.00    +0.009 C 
ENDBRANCH  21  23
ENDBRANCH   5  11
BRANCH   1  30
ATOM     26  C   LIG    1        8.259  -0.899  -2.087  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        6.858  -1.184  -1.889  0.00  0.00    -0.274 N 
ATOM     28  N   LIG    1        6.308  -2.250  -2.497  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        5.034  -2.220  -2.098  0.00  0.00    +0.142 A 
ATOM     30  C   LIG    1        4.763  -1.125  -1.248  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        5.973  -0.475  -1.129  0.00  0.00    +0.116 A 
ENDBRANCH   1  30
BRANCH   2  32
ATOM     32  C   LIG    1        2.360  -0.369  -2.830  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        1.290   0.296  -3.357  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        2.272  -1.637  -3.321  0.00  0.00    -0.204 F 
ENDBRANCH   2  32
TORSDOF 4