REMARK  Name = BDB021291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.370  -0.302  -0.343  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.426  -1.213   0.218  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.911  -0.889   0.087  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.634  -1.921   0.638  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.694  -2.803   1.117  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.349   0.285  -0.550  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.481   1.094  -1.092  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.579  -2.358   0.858  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.856   0.775  -0.978  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.577  -0.787  -0.209  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        5.062   0.417   0.096  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        3.713   0.534   0.048  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        2.837  -0.491  -0.310  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.414  -1.727  -0.610  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        4.800  -1.879  -0.562  0.00  0.00    +0.068 A 
BRANCH  10  16
ATOM     16  O   LIG    1        6.936  -1.000  -0.186  0.00  0.00    -0.474 OA
BRANCH  16  18
ATOM     17  C   LIG    1        7.648   0.506   1.651  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        7.807   0.072   0.195  0.00  0.00    +0.169 C 
ATOM     19  C   LIG    1        7.824   1.232  -0.798  0.00  0.00    +0.051 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  C   LIG    1       -0.937  -4.044   1.787  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1       -1.180  -5.044   2.326  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.692   0.584  -0.635  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.781   1.347  -1.308  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.409   0.984   0.575  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.811   1.395   0.229  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.739   0.520  -0.330  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.591  -0.893  -0.754  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.062  -1.245  -0.976  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.807  -0.029  -1.208  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.024   0.946  -0.648  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.448   2.241  -0.430  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.542   3.132   0.142  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.246   2.707   0.466  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.404   3.596   1.011  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7