REMARK  Name = BDB006109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.255  -0.193  -0.677  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.547   0.200  -2.094  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.433   0.808  -2.731  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.328   1.238  -3.869  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.605   0.801  -1.724  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.857   1.229  -1.670  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.264   0.837  -0.422  0.00  0.00    -0.261 N 
ATOM      8  C   LIG    1        1.226   0.298   0.345  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.162   0.242  -0.536  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.412  -1.504   1.812  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.570  -0.032   1.529  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -2.046   0.590   0.368  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -2.272   1.976   0.195  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -3.001   2.720   1.125  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.523   2.092   2.246  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -4.429   3.001   3.392  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.317   0.730   2.448  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.818  -0.029  -2.711  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.766  -0.912  -2.164  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -3.470  -1.633  -1.073  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -5.016  -1.108  -2.762  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -6.154  -2.200  -2.067  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.352  -0.431  -3.929  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.429   0.439  -4.498  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.178   0.635  -3.896  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        1.267  -0.142   1.785  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        1.819  -1.555   1.947  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        1.933   0.841   2.741  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        3.635   1.177  -0.048  0.00  0.00    +0.199 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.530  -0.016   0.179  0.00  0.00    +0.063 A 
ATOM     31  N   LIG    1        4.343  -1.133  -0.568  0.00  0.00    -0.258 NA
ATOM     32  C   LIG    1        5.193  -2.167  -0.388  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        6.245  -2.148   0.509  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        6.442  -0.998   1.261  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        5.582   0.085   1.091  0.00  0.00    +0.025 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 5