REMARK  Name = BDB015608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.073  -0.800   0.953  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.622  -2.006   0.605  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.692  -2.071   0.362  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.549  -1.039   0.444  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.044   0.151   0.823  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.291   0.315   1.117  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.003   1.281   0.927  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.660   2.671   0.637  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -2.553   3.672   0.743  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.251   5.105   0.448  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1       -3.948   3.349   1.169  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1       -4.809   4.211   1.297  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1       -4.206   2.021   1.402  0.00  0.00    -0.328 N 
ATOM     14  H   LIG    1       -5.154   1.801   1.679  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -3.276   1.019   1.284  0.00  0.00    +0.096 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.464  -0.832   1.239  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.752  -1.803   1.093  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.421   0.169   0.263  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        3.666  -0.564  -0.959  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.860   1.503   0.255  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.920   0.200   1.232  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.952   1.213   0.743  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.090   1.686  -1.754  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.613   0.854  -0.591  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -1.153  -3.328  -0.015  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.515  -3.443  -0.183  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1       -3.351  -3.685   0.916  0.00  0.00    +0.084 A 
ATOM     28 CL   LIG    1       -2.726  -3.830   2.519  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -4.727  -3.822   0.727  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -5.266  -3.728  -0.556  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -4.431  -3.510  -1.654  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.045  -3.381  -1.484  0.00  0.00    -0.007 A 
ATOM     33  C   LIG    1       -2.161  -3.135  -2.673  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8