REMARK  Name = BDB001334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.409  -1.277  -0.034  0.00  0.00    +0.150 C 
ATOM      2  C   LIG    1        1.262   0.247  -0.288  0.00  0.00    +0.066 C 
ATOM      3  C   LIG    1       -0.245   0.439  -0.612  0.00  0.00    +0.098 C 
ATOM      4  C   LIG    1       -0.871   1.791  -0.304  0.00  0.00    -0.009 A 
ATOM      5  C   LIG    1       -1.197   2.439  -1.496  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.781   3.688  -1.543  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -2.063   4.301  -0.324  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.775   3.661   0.892  0.00  0.00    +0.020 A 
ATOM      9 CL   LIG    1       -2.793   5.860  -0.307  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1       -0.893   1.630  -2.573  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -1.076   1.840  -3.544  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -1.184   2.392   0.907  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -0.386   0.406  -2.164  0.00  0.00    +0.230 C 
ATOM     14  O   LIG    1       -0.080  -0.496  -2.924  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -0.929  -0.744   0.091  0.00  0.00    +0.075 C 
ATOM     16  N   LIG    1        0.035  -1.853   0.057  0.00  0.00    -0.301 NA
ATOM     17  H   LIG    1       -0.099  -2.407  -0.804  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        1.800   1.103   0.856  0.00  0.00    -0.037 A 
ATOM     19  C   LIG    1        1.607   0.778   2.210  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        2.107   1.607   3.220  0.00  0.00    +0.044 A 
ATOM     21 CL   LIG    1        1.847   1.188   4.868  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        2.804   2.768   2.906  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1        2.992   3.094   1.572  0.00  0.00    +0.125 A 
ATOM     24  F   LIG    1        3.659   4.212   1.255  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        2.500   2.283   0.552  0.00  0.00    +0.042 A 
ENDBRANCH   2  18
BRANCH   1  28
ATOM     26  C   LIG    1        4.372  -0.972  -0.434  0.00  0.00    +0.131 C 
ATOM     27  N   LIG    1        3.520  -1.674  -1.380  0.00  0.00    -0.306 N 
ATOM     28  C   LIG    1        2.186  -2.003  -1.170  0.00  0.00    +0.233 C 
ATOM     29  O   LIG    1        1.613  -2.852  -1.862  0.00  0.00    -0.274 OA
ATOM     30  C   LIG    1        4.194  -2.244  -2.536  0.00  0.00    +0.131 C 
ENDBRANCH   1  28
BRANCH  15  31
ATOM     31  C   LIG    1       -2.312  -1.129  -0.481  0.00  0.00    +0.026 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -3.217  -2.063   0.375  0.00  0.00    -0.036 C 
ATOM     33  C   LIG    1       -3.556  -1.416   1.729  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -4.535  -2.277  -0.400  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -2.580  -3.439   0.620  0.00  0.00    +0.010 C 
ENDBRANCH  31  32
ENDBRANCH  15  31
TORSDOF 4