REMARK  Name = BDB019066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.370   0.249   0.648  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        0.254   1.258  -0.129  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1        1.630   1.238  -0.191  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        1.998   2.274  -1.012  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1        0.959   2.954  -1.449  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        2.421   0.284   0.481  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        1.831  -0.647   1.185  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -0.134   2.324  -0.907  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        0.452  -0.635   1.255  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.592  -0.092   1.214  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -3.911   1.018   1.717  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -2.532   1.127   1.527  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.827   0.121   0.850  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -2.521  -1.000   0.367  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.900  -1.112   0.555  0.00  0.00    +0.013 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -6.448  -0.289   2.598  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -6.047  -0.200   1.441  0.00  0.00    +0.247 C 
ATOM     18  N   LIG    1       -6.881  -0.170   0.340  0.00  0.00    -0.298 N 
ATOM     19  C   LIG    1       -6.515   0.135  -1.036  0.00  0.00    +0.108 C 
ATOM     20  C   LIG    1       -7.812  -0.029  -1.815  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -8.873   0.362  -0.795  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -8.324  -0.209   0.505  0.00  0.00    +0.108 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        3.795   0.357   0.371  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        4.192   1.268   0.172  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.652  -0.453   1.220  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.065  -0.374   0.721  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        6.470  -0.986  -0.462  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.681  -1.751  -1.460  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        6.829  -2.340  -2.281  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        8.006  -1.517  -2.106  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        7.777  -0.873  -0.918  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        8.736  -0.154  -0.234  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        8.356   0.462   0.959  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        7.038   0.349   1.422  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        6.708   0.972   2.562  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5