REMARK  Name = BDB006598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.186   0.234   0.355  0.00  0.00    -0.256 N 
ATOM      2  C   LIG    1        1.905  -0.143   0.170  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        0.978  -1.099   0.661  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -0.219  -0.854  -0.081  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.036   0.290  -1.045  0.00  0.00    +0.146 C 
ATOM      6  O   LIG    1        1.211  -1.932   1.519  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        1.368   0.655  -0.791  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        2.392   1.516  -1.169  0.00  0.00    +0.141 A 
ATOM      9  N   LIG    1        3.517   1.265  -0.476  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.407  -1.589  -0.005  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.452  -1.360  -0.828  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1       -3.637  -2.078  -0.768  0.00  0.00    -0.315 N 
ATOM     13  C   LIG    1       -4.701  -1.739  -1.703  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1       -3.848  -3.107   0.153  0.00  0.00    +0.270 A 
ATOM     15  O   LIG    1       -4.886  -3.760   0.219  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.700  -3.366   1.076  0.00  0.00    +0.107 A 
ATOM     17 CL   LIG    1       -2.871  -4.605   2.261  0.00  0.00    -0.078 Cl
ATOM     18  C   LIG    1       -1.574  -2.644   0.983  0.00  0.00    +0.050 A 
ENDBRANCH   4  10
BRANCH   5  19
ATOM     19  C   LIG    1       -0.847   1.536  -0.748  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -1.195   1.917   0.562  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -1.944   3.074   0.794  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.349   3.866  -0.277  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -3.272   5.288   0.010  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -2.010   3.512  -1.580  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.261   2.356  -1.814  0.00  0.00    +0.007 A 
ENDBRANCH   5  19
BRANCH   1  27
ATOM     26  C   LIG    1        4.620   0.722   2.300  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        4.163  -0.321   1.282  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1        5.350  -0.933   0.540  0.00  0.00    +0.032 C 
ENDBRANCH   1  27
TORSDOF 3