REMARK  Name = BDB015671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.538  -0.866  -0.112  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -1.558  -1.726  -0.156  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -2.742  -1.238   0.245  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.965   0.017   0.655  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.907   0.850   0.661  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.656   0.455   0.240  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.184   2.239   1.102  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.317   2.876   1.914  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.532   4.173   2.356  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.543   4.781   3.231  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.666   4.903   2.004  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.903   6.056   2.354  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.643   4.195   1.138  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.401   2.943   0.729  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        0.633  -1.445  -0.649  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        0.486  -2.440  -0.828  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.109  -1.198   0.109  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.751  -2.494   0.151  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        1.914  -0.417   1.312  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.981  -0.173  -1.109  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        3.074  -0.887  -2.457  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.363   0.207  -0.548  0.00  0.00    +0.027 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.410   1.662  -0.752  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        5.112   1.224  -1.412  0.00  0.00    -0.001 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  25
ATOM     25  O   LIG    1       -3.861  -2.063   0.263  0.00  0.00    -0.419 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.676  -3.327  -0.237  0.00  0.00    +0.185 A 
ATOM     27  C   LIG    1       -3.444  -4.409   0.613  0.00  0.00    +0.086 A 
ATOM     28 CL   LIG    1       -3.341  -4.204   2.322  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -3.287  -5.693   0.081  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -3.375  -5.897  -1.299  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.624  -4.818  -2.147  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -3.778  -3.543  -1.611  0.00  0.00    +0.167 A 
ATOM     33  F   LIG    1       -4.024  -2.516  -2.438  0.00  0.00    -0.202 F 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8