REMARK  Name = BDB035955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.505   0.745  -0.137  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.795   0.228   0.041  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.732  -0.459   1.239  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        1.810  -1.140   1.819  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.043  -1.130   1.127  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        3.123  -0.431  -0.081  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        4.255  -0.298  -1.035  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        3.722   0.839  -1.906  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        2.277   0.851  -1.832  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1       -0.530  -0.365   1.734  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        2.021   0.234  -0.617  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1       -1.313   0.380   0.864  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -0.895   1.496  -1.235  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -0.221   1.702  -1.970  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -2.351   2.303  -1.361  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1       -2.506   3.109  -0.170  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -2.338   2.911  -2.677  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -4.729   1.039  -0.680  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -3.552   0.998  -1.425  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.287  -0.105  -2.251  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -4.194  -1.165  -2.322  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -5.388  -1.127  -1.586  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1       -5.646  -0.015  -0.770  0.00  0.00    +0.060 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -6.367  -2.273  -1.650  0.00  0.00    +0.418 C 
ATOM     25  F   LIG    1       -7.658  -1.889  -1.449  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -6.354  -2.920  -2.850  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -6.108  -3.225  -0.712  0.00  0.00    -0.166 F 
ENDBRANCH  22  24
BRANCH  18  29
ATOM     28  C   LIG    1       -4.927   1.881   1.457  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -5.077   2.134   0.058  0.00  0.00    -0.493 OA
ENDBRANCH  18  29
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  30
ATOM     30  C   LIG    1        4.234  -1.856   1.705  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  N   LIG    1        5.130  -0.949   2.411  0.00  0.00    -0.267 N 
ATOM     32  N   LIG    1        6.314  -0.605   1.863  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.868   0.192   2.781  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1        6.056   0.346   3.918  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1        4.940  -0.414   3.656  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 7