REMARK  Name = BDB001330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.824  -0.513  -0.136  0.00  0.00    +0.150 C 
ATOM      2  C   LIG    1        1.326   0.936  -0.417  0.00  0.00    +0.066 C 
ATOM      3  C   LIG    1       -0.187   0.758  -0.716  0.00  0.00    +0.098 C 
ATOM      4  C   LIG    1       -1.077   1.972  -0.496  0.00  0.00    -0.009 A 
ATOM      5  C   LIG    1       -1.526   2.451  -1.728  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.346   3.552  -1.857  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -2.742   4.188  -0.682  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -2.329   3.712   0.573  0.00  0.00    +0.020 A 
ATOM      9 CL   LIG    1       -3.766   5.569  -0.768  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1       -1.072   1.637  -2.748  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -1.305   1.724  -3.726  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -1.498   2.590   0.672  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -0.349   0.558  -2.258  0.00  0.00    +0.230 C 
ATOM     14  O   LIG    1        0.062  -0.354  -2.955  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -0.568  -0.488   0.097  0.00  0.00    +0.075 C 
ATOM     16  N   LIG    1        0.610  -1.360   0.034  0.00  0.00    -0.301 NA
ATOM     17  H   LIG    1        0.688  -1.908   0.887  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        1.679   1.906   0.713  0.00  0.00    -0.040 A 
ATOM     19  C   LIG    1        1.552   1.580   2.074  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        1.871   2.516   3.061  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1        1.694   2.093   4.719  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        2.321   3.786   2.716  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        2.452   4.126   1.371  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        2.134   3.195   0.380  0.00  0.00    +0.004 A 
ENDBRANCH   2  18
BRANCH   1  27
ATOM     25  C   LIG    1        2.864  -3.312  -0.150  0.00  0.00    +0.131 C 
ATOM     26  N   LIG    1        3.218  -2.364  -1.191  0.00  0.00    -0.306 N 
ATOM     27  C   LIG    1        2.741  -1.054  -1.275  0.00  0.00    +0.233 C 
ATOM     28  O   LIG    1        3.115  -0.308  -2.186  0.00  0.00    -0.274 OA
ATOM     29  C   LIG    1        3.886  -2.926  -2.354  0.00  0.00    +0.131 C 
ENDBRANCH   1  27
BRANCH  15  30
ATOM     30  C   LIG    1       -1.864  -1.189  -0.366  0.00  0.00    +0.026 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.457  -2.321   0.527  0.00  0.00    -0.036 C 
ATOM     32  C   LIG    1       -3.851  -2.674  -0.039  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -1.604  -3.599   0.495  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -2.632  -1.860   1.982  0.00  0.00    +0.010 C 
ENDBRANCH  30  31
ENDBRANCH  15  30
TORSDOF 4