REMARK  Name = BDB032656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.021   1.752  -1.570  0.00  0.00    -0.192 N 
ATOM      2  H   LIG    1        0.815   2.455  -2.271  0.00  0.00    +0.176 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -1.980  -0.470  -0.922  0.00  0.00    +0.134 A 
ATOM      4  S   LIG    1       -1.480   0.702  -2.085  0.00  0.00    -0.029 S 
ATOM      5  C   LIG    1       -0.032   0.843  -1.198  0.00  0.00    +0.201 A 
ATOM      6  N   LIG    1        0.023   0.121  -0.104  0.00  0.00    -0.124 NA
ATOM      7  N   LIG    1       -1.110  -0.655   0.053  0.00  0.00    -0.140 NA
BRANCH   3   9
ATOM      8  C   LIG    1       -4.242  -1.085   0.001  0.00  0.00    -0.038 A 
ATOM      9  C   LIG    1       -3.285  -1.130  -1.039  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.589  -1.846  -2.213  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -4.814  -2.498  -2.365  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.754  -2.450  -1.343  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.470  -1.753  -0.169  0.00  0.00    +0.004 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -3.502  -1.290   2.400  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -4.006  -0.357   1.308  0.00  0.00    +0.032 C 
ENDBRANCH   8  15
ENDBRANCH   3   9
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1        2.484   0.982  -1.891  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1        2.172  -0.350  -2.370  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        3.223   1.888  -2.751  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.299   0.948  -0.317  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1        3.804  -0.250   0.202  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1        4.455  -0.261   1.439  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        4.573   0.913   2.175  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        4.067   2.109   1.666  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        3.440   2.145   0.413  0.00  0.00    +0.150 A 
BRANCH  20  25
ATOM     25  O   LIG    1        3.784  -1.416  -0.513  0.00  0.00    -0.493 OA
ATOM     26  C   LIG    1        2.839  -2.341   0.032  0.00  0.00    +0.277 C 
ENDBRANCH  20  25
BRANCH  24  27
ATOM     27  O   LIG    1        2.940   3.294  -0.140  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1        3.332   4.534   0.436  0.00  0.00    +0.277 C 
ENDBRANCH  24  27
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7