REMARK  Name = BDB042734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.516   0.606  -0.578  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1       -0.605   0.446   0.447  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1       -1.969   0.253  -0.076  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -3.020   0.194   0.833  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -2.716   0.280   2.267  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1       -1.390   0.434   2.595  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -1.161   0.520   3.582  0.00  0.00    +0.192 HD
ATOM      8  O   LIG    1       -3.604   0.212   3.108  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -4.333   0.064   0.382  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -4.564   0.013  -0.986  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -5.821  -0.088  -1.437  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.514   0.069  -1.902  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1       -2.191   0.150  -1.456  0.00  0.00    +0.040 A 
ATOM     14  N   LIG    1       -1.146   0.265  -2.386  0.00  0.00    -0.342 N 
ATOM     15  H   LIG    1       -1.369  -0.158  -3.286  0.00  0.00    +0.146 HD
ATOM     16  N   LIG    1       -0.350   0.542   1.720  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1        0.160  -0.146  -1.867  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  22
ATOM     18  C   LIG    1        4.461  -0.591   0.771  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        4.269   0.637   0.138  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1        2.994   1.002  -0.283  0.00  0.00    +0.128 A 
ATOM     21  F   LIG    1        2.840   2.178  -0.908  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        1.886   0.169  -0.084  0.00  0.00    -0.002 A 
ATOM     23  C   LIG    1        2.093  -1.071   0.542  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        3.371  -1.445   0.970  0.00  0.00    +0.019 A 
BRANCH  18  26
ATOM     25  N   LIG    1        6.830  -1.296   1.559  0.00  0.00    -0.191 NA
ATOM     26  C   LIG    1        5.770  -0.978   1.209  0.00  0.00    +0.099 C 
ENDBRANCH  18  26
ENDBRANCH   1  22
TORSDOF 2