REMARK  Name = BDB015619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.557   1.030  -0.354  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.477  -0.149   0.264  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.240  -0.631   0.428  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.888  -0.024   0.027  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.761   1.192  -0.533  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.471   1.773  -0.749  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.032   1.842  -0.939  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.214   3.164  -0.755  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.392   3.807  -1.109  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.499   5.240  -0.880  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.474   3.130  -1.669  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.533   3.648  -2.011  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.293   1.667  -1.845  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.143   1.080  -1.492  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.854   1.573  -0.466  0.00  0.00    -0.201 N 
ATOM     16  H   LIG    1        2.966   2.514  -0.834  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        4.087   0.562  -0.989  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        3.549  -0.373  -1.957  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        5.144   1.473  -1.389  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.604  -0.310   0.526  0.00  0.00    +0.326 C 
ATOM     21  F   LIG    1        4.783   0.560   1.568  0.00  0.00    -0.219 F 
BRANCH  20  23
ATOM     22  C   LIG    1        6.311  -1.888   1.494  0.00  0.00    +0.008 C 
ATOM     23  C   LIG    1        5.912  -1.056   0.284  0.00  0.00    +0.059 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1        0.178  -1.894   1.003  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.050  -2.274   1.490  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1       -1.590  -1.645   2.614  0.00  0.00    +0.166 A 
ATOM     27  F   LIG    1       -0.927  -0.646   3.216  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -2.817  -2.045   3.131  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -3.507  -3.095   2.527  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -2.962  -3.744   1.414  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -1.721  -3.350   0.890  0.00  0.00    -0.005 A 
ATOM     32  C   LIG    1       -1.146  -4.049  -0.307  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7