REMARK  Name = BDB006144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.733   0.335  -0.380  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.592   1.415   0.189  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -1.015   2.060   1.308  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -1.416   3.023   1.940  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.248   1.378   1.492  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.262   1.512   2.336  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.153   0.585   1.886  0.00  0.00    -0.261 N 
ATOM      8  C   LIG    1        1.715  -0.108   0.756  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.446   0.387   0.530  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -1.048  -1.549  -2.746  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.520  -1.910  -1.363  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.366  -1.047  -0.249  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.866  -1.482   1.002  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.485  -2.724   1.153  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.627  -3.557   0.053  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.392  -5.087   0.228  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.155  -3.156  -1.194  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.874   1.728  -0.338  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.933   2.141   0.488  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -3.791   2.138   1.823  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -5.185   2.450  -0.050  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -6.486   2.934   0.971  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.405   2.346  -1.422  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.372   1.920  -2.253  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.119   1.608  -1.714  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        2.577  -1.102   0.024  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        2.914  -0.601  -1.380  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        1.952  -2.493  -0.015  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        3.420   0.451   2.598  0.00  0.00    +0.199 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.499   1.217   1.907  0.00  0.00    +0.070 A 
ATOM     31  N   LIG    1        5.564   0.523   1.338  0.00  0.00    -0.250 NA
ATOM     32  C   LIG    1        6.402   1.373   0.787  0.00  0.00    +0.156 A 
ATOM     33  S   LIG    1        5.986   3.031   0.905  0.00  0.00    -0.084 S 
ATOM     34  C   LIG    1        4.573   2.594   1.770  0.00  0.00    +0.071 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 5