REMARK  Name = BDB023255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.586  -0.985  -1.973  0.00  0.00    -0.177 N 
ATOM      2  H   LIG    1       -0.007  -1.606  -1.429  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.251   0.374  -1.996  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.999   1.245  -2.416  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.070   0.622  -1.463  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.810  -0.428  -0.977  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.994   0.081  -0.538  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -3.029   1.453  -0.733  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -4.186   2.135  -0.336  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.250   1.431   0.236  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.184   0.043   0.433  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -4.286   3.461  -0.501  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.033  -0.657   0.029  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.788   1.796  -1.327  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.276  -0.651   1.000  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -6.242  -1.910   1.692  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -7.651  -1.575   2.192  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -7.287  -0.122   1.871  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        2.161  -1.494  -2.072  0.00  0.00    +0.094 S 
ATOM     20  O   LIG    1        2.712  -1.144  -3.363  0.00  0.00    -0.148 OA
ATOM     21  O   LIG    1        2.181  -2.861  -1.591  0.00  0.00    -0.148 OA
BRANCH  19  29
ATOM     22  C   LIG    1        3.462   1.234   2.043  0.00  0.00    +0.174 C 
ATOM     23  N   LIG    1        3.646   0.496   0.817  0.00  0.00    -0.248 N 
ATOM     24  C   LIG    1        4.835   0.247   0.184  0.00  0.00    +0.161 A 
ATOM     25  C   LIG    1        4.522  -0.490  -0.949  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        5.579  -0.876  -1.785  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        6.869  -0.490  -1.413  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        7.069   0.255  -0.242  0.00  0.00    +0.146 A 
ATOM     29  C   LIG    1        3.114  -0.629  -0.894  0.00  0.00    +0.227 A 
ATOM     30  N   LIG    1        6.059   0.641   0.588  0.00  0.00    -0.224 NA
ATOM     31  N   LIG    1        2.570  -0.041   0.196  0.00  0.00    -0.148 NA
BRANCH  28  32
ATOM     32  C   LIG    1        8.501   0.647   0.115  0.00  0.00    +0.434 C 
ATOM     33  F   LIG    1        9.305  -0.439   0.307  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1        8.611   1.395   1.249  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1        9.103   1.376  -0.870  0.00  0.00    -0.164 F 
ENDBRANCH  28  32
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5