REMARK  Name = BDB011174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.540   2.886  -0.137  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.218   2.489   0.153  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -1.412   3.324   0.838  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1       -0.121   2.991   1.022  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1        0.411   1.783   0.625  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.419   0.838   0.052  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1        0.129  -0.475  -0.123  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.518  -0.690  -0.190  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        1.937  -1.790  -0.558  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        2.346   0.380   0.178  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1        1.833   1.516   0.806  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1        2.467   2.298   1.514  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -1.747   1.232  -0.310  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.600   0.497  -1.171  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.897   0.909  -1.464  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.377   2.092  -0.927  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.732  -1.671   0.099  0.00  0.00    +0.095 C 
ATOM     18  C   LIG    1       -0.783  -2.643  -1.097  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -0.315  -4.048  -0.728  0.00  0.00    +0.083 C 
ATOM     20  N   LIG    1       -1.038  -4.602   0.413  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1       -1.945  -4.966   0.123  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -1.205  -3.678   1.533  0.00  0.00    +0.083 C 
ATOM     23  C   LIG    1       -0.380  -2.398   1.414  0.00  0.00    +0.040 C 
ENDBRANCH   7  17
BRANCH  10  24
ATOM     24  C   LIG    1        3.791   0.247   0.117  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1        4.592   1.381  -0.115  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        5.984   1.278  -0.193  0.00  0.00    +0.043 A 
ATOM     27 CL   LIG    1        6.928   2.686  -0.493  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        6.613   0.049  -0.042  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.843  -1.085   0.191  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        4.448  -0.986   0.269  0.00  0.00    +0.026 A 
ENDBRANCH  10  24
BRANCH   1  32
ATOM     31  C   LIG    1       -5.239   4.564   0.119  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.926   4.099   0.394  0.00  0.00    -0.493 OA
ENDBRANCH   1  32
TORSDOF 3