REMARK  Name = BDB030763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.082  -3.039  -0.397  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.196  -1.761   0.165  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -2.445  -1.153   0.454  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.551   0.214   1.050  0.00  0.00    +0.084 A 
ATOM      5  N   LIG    1       -1.374   0.916   1.337  0.00  0.00    -0.338 N 
ATOM      6  H   LIG    1       -0.535   0.347   1.343  0.00  0.00    +0.146 HD
ATOM      7  C   LIG    1       -1.106   2.281   0.884  0.00  0.00    +0.071 C 
ATOM      8  C   LIG    1       -1.110   2.354  -0.643  0.00  0.00    +0.028 C 
ATOM      9  C   LIG    1       -2.040   3.297   1.539  0.00  0.00    +0.063 C 
ATOM     10  C   LIG    1       -3.514   3.043   1.262  0.00  0.00    +0.231 C 
ATOM     11  O   LIG    1       -3.979   1.910   1.986  0.00  0.00    -0.485 OA
ATOM     12  C   LIG    1       -3.781   0.709   1.317  0.00  0.00    +0.207 A 
ATOM     13  C   LIG    1       -5.030  -0.053   1.002  0.00  0.00    +0.295 A 
ATOM     14  N   LIG    1       -4.893  -1.310   0.434  0.00  0.00    -0.308 N 
ATOM     15  C   LIG    1       -6.106  -2.055   0.132  0.00  0.00    +0.152 C 
ATOM     16  O   LIG    1       -6.127   0.461   1.233  0.00  0.00    -0.264 OA
ATOM     17  C   LIG    1       -3.616  -1.877   0.161  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1       -3.509  -3.161  -0.397  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -2.263  -3.732  -0.660  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  20
ATOM     20  N   LIG    1        0.139  -3.706  -0.599  0.00  0.00    -0.298 N 
ATOM     21  H   LIG    1        0.051  -4.551  -1.155  0.00  0.00    +0.154 HD
BRANCH  20  24
ATOM     22  C   LIG    1        3.088  -1.597  -0.363  0.00  0.00    +0.220 A 
ATOM     23  N   LIG    1        1.798  -1.966  -0.467  0.00  0.00    -0.198 NA
ATOM     24  C   LIG    1        1.490  -3.279  -0.547  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1        2.487  -4.246  -0.523  0.00  0.00    +0.099 A 
ATOM     26 CL   LIG    1        2.170  -5.934  -0.636  0.00  0.00    -0.078 Cl
ATOM     27  C   LIG    1        3.775  -3.788  -0.409  0.00  0.00    +0.137 A 
ATOM     28  N   LIG    1        4.094  -2.484  -0.326  0.00  0.00    -0.221 NA
BRANCH  22  35
ATOM     29  C   LIG    1        2.300   2.834  -2.231  0.00  0.00    +0.039 C 
ATOM     30  C   LIG    1        3.243   1.796  -1.638  0.00  0.00    +0.133 C 
ATOM     31  O   LIG    1        4.168   2.497  -0.792  0.00  0.00    -0.371 OA
ATOM     32  C   LIG    1        4.943   1.641   0.069  0.00  0.00    +0.133 C 
ATOM     33  C   LIG    1        4.581   1.985   1.512  0.00  0.00    +0.039 C 
ATOM     34  C   LIG    1        4.800   0.129  -0.221  0.00  0.00    +0.139 C 
ATOM     35  N   LIG    1        3.389  -0.254  -0.265  0.00  0.00    -0.295 N 
ATOM     36  C   LIG    1        2.463   0.702  -0.876  0.00  0.00    +0.139 C 
ENDBRANCH  22  35
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 3