REMARK  Name = BDB023201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.494  -2.738   1.428  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        1.051  -1.966   1.058  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.874  -2.567   1.679  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.527  -3.360   2.341  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.425  -1.369   1.070  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -2.743  -1.077   1.327  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -3.053   0.067   0.662  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -1.951   0.530  -0.035  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -2.105   1.700  -0.788  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -3.337   2.361  -0.806  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.435   1.879  -0.077  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -1.083   2.196  -1.500  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.299   0.695   0.669  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -0.906  -0.395   0.231  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -5.675   2.555  -0.119  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -6.722   2.506   0.863  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -7.306   3.745   0.178  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -5.895   3.950  -0.382  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        1.389  -3.946   2.149  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        1.428  -3.657   3.569  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        0.874  -5.213   1.667  0.00  0.00    -0.150 OA
BRANCH  19  29
ATOM     22  C   LIG    1        3.728  -0.710  -0.104  0.00  0.00    +0.166 A 
ATOM     23  N   LIG    1        2.795  -1.516   0.538  0.00  0.00    -0.219 NA
ATOM     24  C   LIG    1        3.441  -2.616   0.874  0.00  0.00    +0.165 A 
ATOM     25  N   LIG    1        4.767  -2.569   0.464  0.00  0.00    -0.304 N 
ATOM     26  C   LIG    1        5.678  -3.600   0.678  0.00  0.00    +0.093 A 
ATOM     27  C   LIG    1        5.274  -4.711   1.317  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        3.893  -4.798   1.772  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1        3.019  -3.792   1.552  0.00  0.00    +0.151 A 
ATOM     30  C   LIG    1        4.949  -1.360  -0.154  0.00  0.00    +0.127 A 
BRANCH  22  31
ATOM     31  C   LIG    1        3.401   0.618  -0.628  0.00  0.00    +0.359 C 
ATOM     32  O   LIG    1        2.283   1.112  -0.535  0.00  0.00    -0.243 OA
BRANCH  31  33
ATOM     33  O   LIG    1        4.470   1.222  -1.227  0.00  0.00    -0.460 OA
BRANCH  33  35
ATOM     34  C   LIG    1        3.672   2.420  -3.175  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1        4.222   2.529  -1.765  0.00  0.00    +0.229 C 
ENDBRANCH  33  35
ENDBRANCH  31  33
ENDBRANCH  22  31
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 7