REMARK  Name = BDB061020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.189  -1.307  -1.236  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        1.314  -0.364  -1.600  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        2.205  -2.182  -1.579  0.00  0.00    +0.239 C 
ATOM      4  O   LIG    1        2.211  -3.394  -1.379  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.664  -2.196   1.706  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1       -2.402  -1.921   0.941  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1       -2.055  -0.666   0.416  0.00  0.00    +0.110 A 
ATOM      8  C   LIG    1       -0.859  -0.499  -0.309  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        0.016  -1.568  -0.508  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -0.313  -2.810   0.023  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -1.508  -2.985   0.733  0.00  0.00    +0.007 A 
BRANCH   7  12
ATOM     12  S   LIG    1       -3.057   0.803   0.588  0.00  0.00    +0.061 S 
ATOM     13  O   LIG    1       -3.061   1.463  -0.702  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1       -4.298   0.502   1.266  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  N   LIG    1       -2.115   1.762   1.659  0.00  0.00    -0.183 NA
ATOM     16  C   LIG    1       -2.575   3.171   1.710  0.00  0.00    +0.131 C 
ATOM     17  C   LIG    1       -1.959   1.200   3.020  0.00  0.00    +0.131 C 
ENDBRANCH  12  15
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1        3.311  -1.516  -2.405  0.00  0.00    +0.243 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.459  -0.087  -2.101  0.00  0.00    -0.219 N 
ATOM     20  C   LIG    1        4.417   0.317  -1.170  0.00  0.00    +0.288 A 
ATOM     21  O   LIG    1        5.140  -0.475  -0.571  0.00  0.00    -0.265 OA
ATOM     22  C   LIG    1        4.524   1.787  -0.936  0.00  0.00    +0.126 A 
ATOM     23 CL   LIG    1        5.731   2.318   0.182  0.00  0.00    -0.076 Cl
ATOM     24  C   LIG    1        3.711   2.627  -1.578  0.00  0.00    +0.084 A 
ATOM     25 CL   LIG    1        3.702   4.335  -1.420  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1        2.723   2.035  -2.486  0.00  0.00    +0.154 A 
ATOM     27  N   LIG    1        2.583   0.772  -2.732  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5