REMARK  Name = BDB015520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.860  -1.856  -0.066  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.078  -0.580   0.289  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.055   0.286   0.146  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.160  -0.106  -0.369  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -1.275  -1.442  -0.663  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.290  -2.335  -0.555  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.346   1.689   0.537  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.611   2.457   1.093  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.378   3.768   1.479  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -1.478   4.519   2.066  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.864   4.385   1.335  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        1.098   5.549   1.653  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        1.952   3.533   0.757  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.305   4.156   0.633  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        1.674   2.271   0.395  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -2.439  -2.020  -1.233  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -2.208  -3.002  -1.406  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -3.826  -1.963  -0.265  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -3.964  -0.641   0.309  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -3.784  -3.146   0.566  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -5.119  -2.182  -1.505  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -5.099  -1.062  -2.540  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -6.482  -2.263  -0.824  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        1.884  -2.791   0.033  0.00  0.00    -0.423 OA
BRANCH  24  27
ATOM     25  C   LIG    1        3.957  -2.010  -1.797  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        4.121  -1.970  -0.306  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1        3.072  -2.334   0.554  0.00  0.00    +0.135 A 
ATOM     28  C   LIG    1        3.234  -2.310   1.945  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        4.438  -1.873   2.491  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        5.468  -1.479   1.645  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1        6.625  -1.052   2.169  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        5.323  -1.524   0.260  0.00  0.00    +0.045 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6