REMARK  Name = BDB023256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.042   0.715  -0.916  0.00  0.00    -0.177 N 
ATOM      2  H   LIG    1       -1.113   0.109  -0.105  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.161   1.192  -1.430  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.209   1.933  -2.401  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.324   0.720  -0.702  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.558   1.149  -1.126  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.495   0.593  -0.314  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.887  -0.200   0.644  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.712  -0.848   1.570  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.100  -0.685   1.502  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.692   0.116   0.513  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.184  -1.624   2.526  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.873   0.783  -0.416  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.492  -0.116   0.392  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        7.095   0.278   0.470  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.891   0.642  -0.669  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        9.105   0.169   0.137  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        8.092  -0.631   0.962  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.519   1.109  -1.563  0.00  0.00    +0.094 S 
ATOM     20  O   LIG    1       -2.672   0.476  -2.854  0.00  0.00    -0.148 OA
ATOM     21  O   LIG    1       -2.808   2.502  -1.313  0.00  0.00    -0.148 OA
BRANCH  19  27
ATOM     22  C   LIG    1       -9.184  -0.465  -0.068  0.00  0.00    +0.065 C 
ATOM     23  C   LIG    1       -7.725  -0.194  -0.305  0.00  0.00    +0.041 A 
ATOM     24  N   LIG    1       -6.853  -0.784   0.548  0.00  0.00    -0.233 NA
ATOM     25  C   LIG    1       -5.562  -0.501   0.285  0.00  0.00    +0.160 A 
ATOM     26  C   LIG    1       -5.073   0.304  -0.733  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1       -3.672   0.265  -0.556  0.00  0.00    +0.227 A 
ATOM     28  N   LIG    1       -3.284  -0.500   0.492  0.00  0.00    -0.148 NA
ATOM     29  C   LIG    1       -6.001   0.899  -1.599  0.00  0.00    +0.017 A 
ATOM     30  N   LIG    1       -4.469  -0.953   0.976  0.00  0.00    -0.248 N 
ATOM     31  C   LIG    1       -4.483  -1.821   2.128  0.00  0.00    +0.174 C 
ATOM     32  C   LIG    1       -7.352   0.635  -1.366  0.00  0.00    +0.024 A 
ENDBRANCH  19  27
ENDBRANCH   1  19
TORSDOF 4