REMARK  Name = BDB059615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.035   1.670   0.313  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1        0.920   1.202  -0.659  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1        0.665  -0.003  -1.323  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.491  -0.735  -1.047  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.415  -0.291  -0.077  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -1.125   0.915   0.591  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.677  -1.136   0.225  0.00  0.00    +0.082 C 
ATOM      8  C   LIG    1       -3.494  -1.295  -1.098  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1       -5.016  -1.361  -0.921  0.00  0.00    +0.002 C 
ATOM     10  C   LIG    1       -5.423  -2.060   0.364  0.00  0.00    +0.000 C 
ATOM     11  C   LIG    1       -4.868  -1.346   1.593  0.00  0.00    +0.002 C 
ATOM     12  C   LIG    1       -3.599  -0.527   1.315  0.00  0.00    +0.026 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -2.238  -2.482   0.705  0.00  0.00    +0.074 C 
ATOM     14  N   LIG    1       -1.906  -3.535   1.064  0.00  0.00    -0.196 NA
ENDBRANCH   7  13
ENDBRANCH   5   7
BRANCH   1  18
ATOM     15  C   LIG    1        1.710   4.830   1.603  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        1.447   3.557   0.986  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1        2.100   3.199   0.293  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        0.225   2.937   1.087  0.00  0.00    +0.247 C 
ATOM     19  O   LIG    1       -0.692   3.376   1.776  0.00  0.00    -0.270 OA
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  O   LIG    1        2.043   1.912  -1.014  0.00  0.00    -0.504 OA
ATOM     21  H   LIG    1        2.415   1.451  -1.792  0.00  0.00    +0.292 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  N   LIG    1        1.637  -0.483  -2.262  0.00  0.00    -0.213 N 
ATOM     23  H   LIG    1        1.278  -0.717  -3.191  0.00  0.00    +0.174 HD
BRANCH  22  24
ATOM     24  S   LIG    1        2.634  -1.766  -1.734  0.00  0.00    +0.076 S 
ATOM     25  O   LIG    1        3.428  -2.145  -2.881  0.00  0.00    -0.150 OA
ATOM     26  O   LIG    1        1.821  -2.735  -1.030  0.00  0.00    -0.150 OA
BRANCH  24  27
ATOM     27  C   LIG    1        3.696  -0.989  -0.560  0.00  0.00    +0.151 A 
ATOM     28  C   LIG    1        3.451  -1.086   0.811  0.00  0.00    +0.143 A 
ATOM     29  C   LIG    1        4.290  -0.424   1.707  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1        5.381   0.312   1.240  0.00  0.00    +0.019 A 
ATOM     31  C   LIG    1        5.634   0.380  -0.129  0.00  0.00    +0.020 A 
ATOM     32 BR   LIG    1        7.112   1.372  -0.761  0.00  0.00    -0.050 Br
ATOM     33  C   LIG    1        4.802  -0.271  -1.036  0.00  0.00    +0.047 A 
BRANCH  28  34
ATOM     34  O   LIG    1        2.420  -1.780   1.376  0.00  0.00    -0.505 OA
ATOM     35  H   LIG    1        2.002  -2.389   0.729  0.00  0.00    +0.292 HD
ENDBRANCH  28  34
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 8