REMARK  Name = BDB059585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.597  -1.108   0.450  0.00  0.00    +0.071 A 
ATOM      2  C   LIG    1       -0.441  -1.857   0.698  0.00  0.00    +0.160 A 
ATOM      3  C   LIG    1        0.788  -1.253   0.941  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1        0.879   0.136   0.944  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -0.249   0.953   0.706  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -1.483   0.287   0.477  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.144   2.558   0.714  0.00  0.00    +0.082 C 
ATOM      8  C   LIG    1       -0.933   3.327  -0.406  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        0.251   4.305  -0.513  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1        1.141   3.195   0.074  0.00  0.00    +0.026 C 
BRANCH   7  11
ATOM     11  C   LIG    1       -0.427   3.041   2.066  0.00  0.00    +0.074 C 
ATOM     12  N   LIG    1       -0.656   3.433   3.134  0.00  0.00    -0.196 NA
ENDBRANCH   7  11
ENDBRANCH   5   7
BRANCH   1  13
ATOM     13  N   LIG    1       -2.813  -1.817   0.315  0.00  0.00    -0.339 N 
ATOM     14  H   LIG    1       -3.106  -2.092   1.258  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.923  -1.117  -0.350  0.00  0.00    +0.129 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.047  -2.101  -0.689  0.00  0.00    +0.178 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -7.207  -2.251  -1.622  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1       -6.142  -1.382  -1.258  0.00  0.00    -0.381 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   2  19
ATOM     19  O   LIG    1       -0.528  -3.230   0.679  0.00  0.00    -0.503 OA
ATOM     20  H   LIG    1       -1.425  -3.391   0.317  0.00  0.00    +0.292 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  N   LIG    1        1.945  -2.077   1.106  0.00  0.00    -0.213 N 
ATOM     22  H   LIG    1        1.714  -3.020   1.435  0.00  0.00    +0.174 HD
BRANCH  21  23
ATOM     23  S   LIG    1        2.978  -2.215  -0.228  0.00  0.00    +0.076 S 
ATOM     24  O   LIG    1        2.260  -1.914  -1.452  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1        3.713  -3.450  -0.069  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.122  -0.893   0.043  0.00  0.00    +0.151 A 
ATOM     27  C   LIG    1        4.127   0.247  -0.764  0.00  0.00    +0.143 A 
ATOM     28  C   LIG    1        5.042   1.268  -0.508  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        5.957   1.147   0.540  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1        5.955  -0.001   1.332  0.00  0.00    +0.020 A 
ATOM     31 BR   LIG    1        7.196  -0.164   2.748  0.00  0.00    -0.050 Br
ATOM     32  C   LIG    1        5.044  -1.026   1.090  0.00  0.00    +0.047 A 
BRANCH  27  33
ATOM     33  O   LIG    1        3.274   0.472  -1.808  0.00  0.00    -0.505 OA
ATOM     34  H   LIG    1        2.740  -0.332  -1.996  0.00  0.00    +0.292 HD
ENDBRANCH  27  33
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 11