REMARK  Name = BDB063699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.788   1.287  -1.133  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -0.921   0.331  -1.439  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.496   1.778  -0.996  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1        0.690   2.922  -0.592  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -5.450  -0.245  -0.177  0.00  0.00    -0.010 C 
ATOM      6  C   LIG    1       -5.139  -0.351  -1.668  0.00  0.00    +0.108 C 
ATOM      7  S   LIG    1       -3.407   0.016  -2.118  0.00  0.00    -0.131 S 
ATOM      8  C   LIG    1       -3.372   1.546  -1.150  0.00  0.00    +0.169 C 
ATOM      9  N   LIG    1       -3.610   1.194   0.224  0.00  0.00    -0.249 N 
ATOM     10  C   LIG    1       -2.498   1.746   0.753  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -2.091   1.823   1.887  0.00  0.00    -0.273 OA
ATOM     12  CA  LIG    1       -1.976   2.073  -0.695  0.00  0.00    +0.191 C 
ATOM     13  CA  LIG    1       -4.660   0.458   0.676  0.00  0.00    +0.126 C 
BRANCH   5  15
ATOM     14  C   LIG    1       -7.583  -1.538  -0.495  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -6.643  -0.972   0.276  0.00  0.00    -0.001 C 
ENDBRANCH   5  15
BRANCH  13  16
ATOM     16  C   LIG    1       -4.885   0.465   2.149  0.00  0.00    +0.352 C 
ATOM     17  O   LIG    1       -4.972  -0.503   2.882  0.00  0.00    -0.244 OA
BRANCH  16  18
ATOM     18  OXT LIG    1       -5.023   1.724   2.605  0.00  0.00    -0.476 OA
ATOM     19  HXT LIG    1       -5.059   1.623   3.578  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        1.555   0.860  -1.374  0.00  0.00    +0.190 A 
ATOM     21  O   LIG    1        2.848   1.301  -1.261  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1        3.672   0.289  -1.651  0.00  0.00    +0.143 A 
ATOM     23  C   LIG    1        2.925  -0.804  -2.029  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        1.567  -0.441  -1.851  0.00  0.00    +0.055 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.130   0.568  -1.587  0.00  0.00    +0.303 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.802  -0.574  -1.045  0.00  0.00    -0.484 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.943  -0.659   0.313  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1        5.283   0.128   1.262  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        5.515  -0.079   2.625  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        6.399  -1.071   3.033  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1        6.617  -1.266   4.340  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        7.054  -1.866   2.103  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        6.822  -1.660   0.742  0.00  0.00    +0.048 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   3  20
TORSDOF 8