REMARK  Name = BDB015798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.764   0.277  -1.093  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.033   1.366  -1.341  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.224   1.321  -0.884  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.794   0.269  -0.275  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.017  -0.811  -0.064  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.290  -0.863  -0.493  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.680  -1.955   0.612  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.000  -2.708   1.500  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.582  -3.780   2.163  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.769  -4.536   3.103  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.911  -4.147   1.968  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.475  -5.089   2.516  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.676  -3.302   1.015  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.083  -2.277   0.392  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.064   0.393  -1.651  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.106   1.331  -2.057  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.345   0.225  -0.555  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.150  -0.977   0.227  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.525   1.518   0.065  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.689  -0.066  -1.698  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.997  -0.450  -1.010  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.986   1.904  -0.917  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.647   0.636  -0.150  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -1.990   2.445  -1.168  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.144   2.586  -0.431  0.00  0.00    +0.173 A 
ATOM     26  C   LIG    1       -3.078   2.864   0.936  0.00  0.00    +0.201 A 
ATOM     27  F   LIG    1       -1.890   2.981   1.547  0.00  0.00    -0.199 F 
ATOM     28  C   LIG    1       -4.248   3.030   1.664  0.00  0.00    +0.162 A 
ATOM     29  F   LIG    1       -4.194   3.293   2.977  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -5.488   2.935   1.041  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.558   2.679  -0.331  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -4.385   2.513  -1.085  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -4.465   2.232  -2.558  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8