REMARK  Name = BDB033732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.299   0.620   2.604  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1       -1.016   1.313   2.416  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   6
ATOM      3  N   LIG    1        3.908   0.809   2.701  0.00  0.00    -0.176 NA
ATOM      4  C   LIG    1        3.212   2.063   2.336  0.00  0.00    +0.111 C 
ATOM      5  C   LIG    1        1.786   1.793   1.887  0.00  0.00    +0.039 C 
ATOM      6  C   LIG    1        0.986   1.174   3.034  0.00  0.00    +0.076 C 
ATOM      7  C   LIG    1        1.801   0.215   3.909  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        3.063  -0.295   3.227  0.00  0.00    +0.111 C 
BRANCH   3   9
ATOM      9  S   LIG    1        5.192   0.315   1.692  0.00  0.00    +0.064 S 
ATOM     10  O   LIG    1        5.969   1.477   1.322  0.00  0.00    -0.153 OA
ATOM     11  O   LIG    1        5.799  -0.867   2.264  0.00  0.00    -0.153 OA
BRANCH   9  16
ATOM     12  C   LIG    1        3.130  -0.140  -3.102  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1        3.634  -0.405  -1.776  0.00  0.00    -0.273 N 
ATOM     14  N   LIG    1        3.598  -1.664  -1.293  0.00  0.00    -0.178 NA
ATOM     15  C   LIG    1        4.184  -1.558  -0.094  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        4.516  -0.231   0.213  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1        4.151   0.501  -0.897  0.00  0.00    +0.136 A 
ENDBRANCH   9  16
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.367  -0.296   1.576  0.00  0.00    +0.219 A 
ATOM     19  N   LIG    1       -1.437  -0.188   0.781  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1       -1.520  -1.044  -0.260  0.00  0.00    +0.237 A 
ATOM     21  C   LIG    1       -0.569  -1.995  -0.545  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1        0.484  -2.031   0.332  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1        0.601  -1.199   1.391  0.00  0.00    -0.221 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -0.649  -2.878  -1.657  0.00  0.00    +0.106 C 
ATOM     25  N   LIG    1       -0.701  -3.601  -2.563  0.00  0.00    -0.191 NA
ENDBRANCH  21  24
BRANCH  20  26
ATOM     26  O   LIG    1       -2.607  -0.953  -1.110  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.607  -0.023  -0.684  0.00  0.00    +0.237 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.771  -0.082  -1.681  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -4.425   0.452  -3.099  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1       -5.743   1.256  -3.086  0.00  0.00    +0.250 C 
ATOM     31  F   LIG    1       -6.783   0.676  -3.728  0.00  0.00    -0.206 F 
ATOM     32  F   LIG    1       -5.657   2.522  -3.549  0.00  0.00    -0.206 F 
ATOM     33  C   LIG    1       -5.756   1.112  -1.548  0.00  0.00    +0.085 C 
ATOM     34  C   LIG    1       -5.467  -1.445  -1.678  0.00  0.00    +0.015 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH   1  18
TORSDOF 8