REMARK  Name = BDB032614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.213  -1.840  -0.733  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        0.077  -2.838  -0.879  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.527  -1.523  -0.421  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        2.359  -2.505  -0.066  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        3.572  -1.897   0.198  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        3.462  -0.550   0.013  0.00  0.00    +0.172 A 
ATOM      7  C   LIG    1        2.172  -0.273  -0.378  0.00  0.00    +0.098 A 
BRANCH   6   8
ATOM      8  C   LIG    1        4.658   0.252   0.236  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        5.761  -0.229   0.956  0.00  0.00    +0.134 A 
ATOM     10  F   LIG    1        5.753  -1.460   1.488  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        6.897   0.556   1.160  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.952   1.848   0.644  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        5.868   2.350  -0.073  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.731   1.560  -0.275  0.00  0.00    +0.014 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1       -0.768  -0.919  -1.727  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1       -0.136   0.321  -2.123  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -1.251  -1.845  -2.734  0.00  0.00    -0.150 OA
BRANCH  15  20
ATOM     18  C   LIG    1       -4.526  -0.736  -0.221  0.00  0.00    -0.046 A 
ATOM     19  C   LIG    1       -3.412  -1.013  -1.020  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1       -2.142  -0.528  -0.666  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -1.966   0.252   0.485  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1       -3.087   0.531   1.275  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -4.352   0.044   0.925  0.00  0.00    +0.007 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -6.619  -0.261  -1.520  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -5.893  -1.239  -0.609  0.00  0.00    +0.032 C 
ENDBRANCH  18  25
BRANCH  21  26
ATOM     26  O   LIG    1       -0.704   0.693   0.768  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -0.513   1.462   1.949  0.00  0.00    +0.277 C 
ENDBRANCH  21  26
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 6