REMARK  Name = BDB008560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.125  -0.251   0.728  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.615  -0.150   2.176  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        3.542  -1.388  -1.016  0.00  0.00    -0.345 N 
ATOM      4  C   LIG    1        2.183  -1.137  -1.046  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        1.780  -1.244  -2.380  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.426  -1.022  -2.695  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -0.479  -0.701  -1.676  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.075  -0.591  -0.336  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1        2.933  -1.580  -3.140  0.00  0.00    +0.066 A 
ATOM     10 CL   LIG    1        2.978  -1.829  -4.821  0.00  0.00    -0.081 Cl
ATOM     11  C   LIG    1        1.277  -0.820  -0.015  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        3.999  -1.670  -2.277  0.00  0.00    +0.106 A 
BRANCH   3  13
ATOM     13  C   LIG    1        4.379  -1.391   0.172  0.00  0.00    +0.124 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.743   0.001   0.682  0.00  0.00    +0.049 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.591   0.797  -0.307  0.00  0.00    +0.161 C 
BRANCH  15  17
ATOM     16  C   LIG    1        7.136   2.026   1.021  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        5.943   2.064   0.248  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       -1.897   0.978   0.375  0.00  0.00    -0.290 N 
ATOM     19  C   LIG    1       -3.284   0.992   0.123  0.00  0.00    +0.235 C 
ATOM     20  O   LIG    1       -3.904   2.036  -0.108  0.00  0.00    -0.274 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.054  -0.359   0.122  0.00  0.00    +0.155 C 
ATOM     22  N   LIG    1       -5.293  -0.247  -0.696  0.00  0.00    -0.303 NA
ATOM     23  H   LIG    1       -5.061   0.017  -1.652  0.00  0.00    +0.123 HD
ATOM     24  C   LIG    1       -6.071  -1.486  -0.643  0.00  0.00    +0.096 C 
ATOM     25  C   LIG    1       -6.370  -1.929   0.807  0.00  0.00    +0.096 C 
ATOM     26  N   LIG    1       -5.155  -2.051   1.638  0.00  0.00    -0.313 NA
ATOM     27  H   LIG    1       -4.574  -2.787   1.237  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -4.409  -0.774   1.570  0.00  0.00    +0.109 C 
ENDBRANCH  19  21
BRANCH  18  29
ATOM     29  C   LIG    1       -1.091   2.206   0.323  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1       -1.380   3.391  -0.554  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -1.537   3.503   0.939  0.00  0.00    +0.024 C 
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 8