REMARK  Name = BDB008561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.059   2.063   0.485  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -1.137   1.601   1.948  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        2.498  -1.392  -0.721  0.00  0.00    -0.345 N 
ATOM      4  C   LIG    1        1.637  -0.323  -0.877  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        1.807   0.148  -2.183  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        1.048   1.257  -2.605  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        0.140   1.851  -1.721  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.046   1.364  -0.418  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1        2.781  -0.681  -2.802  0.00  0.00    +0.066 A 
ATOM     10 CL   LIG    1        3.343  -0.531  -4.399  0.00  0.00    -0.081 Cl
ATOM     11  C   LIG    1        0.728   0.272   0.018  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        3.182  -1.623  -1.886  0.00  0.00    +0.106 A 
BRANCH   3  13
ATOM     13  C   LIG    1        2.647  -2.195   0.482  0.00  0.00    +0.124 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.467  -1.526   1.581  0.00  0.00    +0.049 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.919  -1.278   1.178  0.00  0.00    +0.161 C 
BRANCH  15  17
ATOM     16  C   LIG    1        6.206  -1.669   3.139  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        5.643  -0.701   2.264  0.00  0.00    -0.383 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1       -2.416   2.170  -0.115  0.00  0.00    -0.290 N 
ATOM     19  C   LIG    1       -3.265   1.122  -0.500  0.00  0.00    +0.235 C 
ATOM     20  O   LIG    1       -4.394   1.362  -0.949  0.00  0.00    -0.274 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -2.777  -0.341  -0.405  0.00  0.00    +0.155 C 
ATOM     22  N   LIG    1       -2.300  -0.793  -1.738  0.00  0.00    -0.303 NA
ATOM     23  H   LIG    1       -1.480  -0.255  -2.013  0.00  0.00    +0.123 HD
ATOM     24  C   LIG    1       -1.967  -2.222  -1.711  0.00  0.00    +0.096 C 
ATOM     25  C   LIG    1       -3.112  -3.097  -1.157  0.00  0.00    +0.096 C 
ATOM     26  N   LIG    1       -3.570  -2.668   0.179  0.00  0.00    -0.313 NA
ATOM     27  H   LIG    1       -2.791  -2.763   0.828  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -3.940  -1.235   0.101  0.00  0.00    +0.109 C 
ENDBRANCH  19  21
BRANCH  18  29
ATOM     29  C   LIG    1       -2.905   3.525  -0.337  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1       -4.121   4.038   0.397  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -2.781   4.639   0.674  0.00  0.00    +0.024 C 
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 8