REMARK  Name = BDB059272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.087  -0.753   0.047  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.030  -0.560   1.050  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -1.297  -0.554  -0.599  0.00  0.00    +0.259 C 
ATOM      4  O   LIG    1       -1.361  -0.243  -1.786  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.530  -0.690   0.222  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -3.705  -0.072  -0.241  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -4.896  -0.176   0.494  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1       -4.902  -0.906   1.690  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -3.736  -1.522   2.128  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -3.752  -2.230   3.265  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -2.550  -1.426   1.410  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  N   LIG    1       -6.096   0.445   0.049  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1       -7.242   0.335   0.771  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -8.149   1.024   0.079  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -7.618   1.585  -1.090  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -6.299   1.199  -1.088  0.00  0.00    +0.114 A 
ENDBRANCH   7  12
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  N   LIG    1        1.152  -0.252  -0.739  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        0.862   0.045  -1.688  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        1.923   1.093   0.011  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        1.663   2.214  -0.862  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        1.513   1.063   1.401  0.00  0.00    -0.152 OA
BRANCH  19  26
ATOM     22  C   LIG    1        6.368   0.140  -0.193  0.00  0.00    +0.123 A 
ATOM     23  C   LIG    1        5.914   1.434   0.072  0.00  0.00    +0.086 A 
ATOM     24  C   LIG    1        4.549   1.700   0.135  0.00  0.00    +0.153 A 
ATOM     25  F   LIG    1        4.152   2.950   0.408  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        3.628   0.683  -0.066  0.00  0.00    +0.142 A 
ATOM     27  C   LIG    1        4.067  -0.617  -0.327  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1        5.440  -0.885  -0.391  0.00  0.00    +0.048 A 
BRANCH  22  30
ATOM     29  C   LIG    1        8.249  -1.285  -0.500  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        7.729   0.010  -0.229  0.00  0.00    -0.495 OA
ENDBRANCH  22  30
ENDBRANCH  19  26
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6