REMARK  Name = BDB001125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.816  -1.854  -0.811  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.169  -2.514  -0.538  0.00  0.00    +0.075 C 
BRANCH   2  10
ATOM      3  C   LIG    1        4.946   1.002  -2.954  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        5.319   1.071  -1.500  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        4.717   0.208  -0.567  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        5.090   0.309   0.779  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        4.444  -0.604   1.737  0.00  0.00    +0.259 A 
ATOM      8  N   LIG    1        3.525  -1.470   1.204  0.00  0.00    -0.310 N 
ATOM      9  H   LIG    1        3.093  -2.102   1.863  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1        3.217  -1.507  -0.127  0.00  0.00    +0.110 A 
ATOM     11  O   LIG    1        4.704  -0.595   2.934  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        6.041   1.238   1.211  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        6.633   2.089   0.282  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1        3.758  -0.727  -1.004  0.00  0.00    -0.233 NA
ATOM     15  C   LIG    1        6.274   2.006  -1.065  0.00  0.00    +0.005 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.164  -1.295   0.463  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.136  -0.661   0.199  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -2.204  -1.639  -0.063  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1       -3.513  -0.939  -0.477  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -3.842   0.243   0.400  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1       -2.916   0.741   1.240  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1       -1.516   0.205   1.330  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.196   0.819   0.336  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -5.370   2.190   0.084  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -6.651   2.744   0.014  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -7.759   1.928   0.197  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1       -8.988   2.458   0.132  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -7.612   0.569   0.448  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -6.332   0.015   0.516  0.00  0.00    +0.011 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5