REMARK  Name = BDB023295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.108   1.079   0.206  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        0.744  -0.073   0.384  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1        1.655  -1.105   0.637  0.00  0.00    -0.178 N 
ATOM      4  H   LIG    1        1.347  -2.042   0.864  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.636  -0.516   0.321  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.594   0.432   0.059  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.803  -0.187   0.044  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.648  -1.540   0.293  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -3.801  -2.333   0.308  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.052  -1.751   0.081  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.183  -0.374  -0.158  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -3.717  -3.651   0.536  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.031   0.432  -0.189  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.254  -1.749   0.470  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.454   0.192  -0.398  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -7.727  -0.305   0.045  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -8.293   1.073  -0.313  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -6.846   1.561  -0.204  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1        3.219  -0.836   1.104  0.00  0.00    +0.092 S 
ATOM     20  O   LIG    1        3.813  -2.151   1.216  0.00  0.00    -0.148 OA
ATOM     21  O   LIG    1        3.228   0.077   2.222  0.00  0.00    -0.148 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.122  -0.063  -0.169  0.00  0.00    +0.202 A 
ATOM     23  N   LIG    1        5.449   0.296  -0.036  0.00  0.00    -0.287 N 
ATOM     24  C   LIG    1        6.319   0.191   1.048  0.00  0.00    +0.090 C 
ATOM     25  C   LIG    1        7.551   0.725   1.005  0.00  0.00    -0.008 C 
ATOM     26  C   LIG    1        8.040   1.485  -0.202  0.00  0.00    +0.036 C 
ATOM     27  C   LIG    1        7.266   1.189  -1.499  0.00  0.00    +0.079 C 
ATOM     28  C   LIG    1        5.837   0.823  -1.258  0.00  0.00    +0.115 A 
ATOM     29  N   LIG    1        4.848   0.861  -2.122  0.00  0.00    -0.238 NA
ATOM     30  C   LIG    1        3.784   0.327  -1.451  0.00  0.00    +0.160 A 
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 4