REMARK  Name = BDB015803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.874  -1.387  -0.871  0.00  0.00    +0.181 A 
ATOM      2  C   LIG    1        0.825  -0.095  -0.388  0.00  0.00    +0.190 A 
ATOM      3  F   LIG    1        1.936   0.637  -0.224  0.00  0.00    -0.200 F 
ATOM      4  C   LIG    1       -0.434   0.396  -0.114  0.00  0.00    +0.116 A 
ATOM      5  N   LIG    1       -1.546  -0.349  -0.322  0.00  0.00    -0.192 NA
ATOM      6  C   LIG    1       -1.376  -1.595  -0.801  0.00  0.00    +0.326 A 
ATOM      7  N   LIG    1       -0.200  -2.145  -1.129  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.657   1.765   0.418  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -1.680   1.961   1.275  0.00  0.00    +0.099 A 
ATOM     10  N   LIG    1       -1.972   3.205   1.817  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -3.092   3.311   2.738  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1       -1.233   4.343   1.511  0.00  0.00    +0.251 A 
ATOM     13  O   LIG    1       -1.440   5.467   1.959  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.113   4.141   0.555  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1        0.140   2.927   0.051  0.00  0.00    +0.017 A 
ENDBRANCH   4   8
BRANCH   1  16
ATOM     16  N   LIG    1        2.072  -2.047  -1.253  0.00  0.00    -0.201 N 
ATOM     17  H   LIG    1        1.853  -2.958  -1.664  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.238  -2.249  -0.053  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        3.697  -3.615  -0.194  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.741  -1.747   1.209  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.539  -1.173  -0.653  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.750  -1.206   0.275  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.642   1.110  -0.308  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.928  -0.382  -0.245  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   6  25
ATOM     25  O   LIG    1       -2.489  -2.377  -1.079  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.643  -2.045  -0.408  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -3.722  -2.167   0.982  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -2.660  -2.585   1.686  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -4.898  -1.863   1.657  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -6.014  -1.444   0.936  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -5.951  -1.339  -0.457  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -4.768  -1.649  -1.147  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -4.710  -1.533  -2.642  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 8