REMARK  Name = BDB063709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.831  -0.001  -1.252  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1       -1.388   0.907  -1.219  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -1.054  -1.137  -1.120  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1       -1.598  -2.238  -1.030  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -5.325   1.516   2.115  0.00  0.00    -0.010 C 
ATOM      6  C   LIG    1       -4.447   0.412   2.692  0.00  0.00    +0.108 C 
ATOM      7  S   LIG    1       -3.000   0.015   1.657  0.00  0.00    -0.131 S 
ATOM      8  C   LIG    1       -4.009  -0.244   0.173  0.00  0.00    +0.169 C 
ATOM      9  N   LIG    1       -4.700   0.992  -0.121  0.00  0.00    -0.249 N 
ATOM     10  C   LIG    1       -4.081   1.260  -1.293  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -4.071   2.227  -2.018  0.00  0.00    -0.273 OA
ATOM     12  CA  LIG    1       -3.316  -0.093  -1.218  0.00  0.00    +0.191 C 
ATOM     13  CA  LIG    1       -5.344   1.788   0.784  0.00  0.00    +0.126 C 
BRANCH   5  15
ATOM     14  C   LIG    1       -6.316   1.972   4.380  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -6.114   2.280   3.091  0.00  0.00    -0.001 C 
ENDBRANCH   5  15
BRANCH  13  16
ATOM     16  C   LIG    1       -6.080   2.958   0.219  0.00  0.00    +0.352 C 
ATOM     17  O   LIG    1       -6.041   4.111   0.608  0.00  0.00    -0.244 OA
BRANCH  16  18
ATOM     18  OXT LIG    1       -6.857   2.586  -0.817  0.00  0.00    -0.476 OA
ATOM     19  HXT LIG    1       -7.220   3.431  -1.153  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        0.387  -0.918  -1.094  0.00  0.00    +0.074 A 
ATOM     21  S   LIG    1        1.415  -2.250  -0.746  0.00  0.00    -0.085 S 
ATOM     22  C   LIG    1        2.837  -1.303  -0.879  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        2.533   0.006  -1.192  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        1.129   0.228  -1.317  0.00  0.00    +0.021 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.170  -1.960  -0.665  0.00  0.00    +0.271 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.168  -0.941  -0.721  0.00  0.00    -0.485 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.479  -1.315  -0.585  0.00  0.00    +0.139 A 
ATOM     28  C   LIG    1        7.438  -0.292  -0.691  0.00  0.00    +0.084 A 
ATOM     29 CL   LIG    1        6.972   1.349  -0.981  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1        8.802  -0.570  -0.567  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        9.214  -1.877  -0.333  0.00  0.00    +0.019 A 
ATOM     32 BR   LIG    1       11.056  -2.267  -0.165  0.00  0.00    -0.050 Br
ATOM     33  C   LIG    1        8.278  -2.904  -0.223  0.00  0.00    +0.019 A 
ATOM     34  C   LIG    1        6.913  -2.623  -0.349  0.00  0.00    +0.048 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   3  20
TORSDOF 8