REMARK  Name = BDB015660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.923  -0.512   0.936  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.051  -1.335   1.328  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.285  -0.973   0.957  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.593   0.140   0.268  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.572   0.944  -0.088  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.730   0.667   0.261  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.954   2.167  -0.836  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.174   2.626  -1.836  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.499   3.758  -2.571  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        0.405   4.178  -3.630  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.661   4.489  -2.341  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.998   5.497  -2.956  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.540   3.976  -1.259  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.193   2.883  -0.568  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.187  -0.945   1.415  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        2.003  -1.813   1.927  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.355  -1.252   0.235  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        3.192  -2.633  -0.163  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.340  -0.193  -0.753  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.890  -1.099   1.189  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        5.046   0.321   1.731  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        6.317  -2.227   2.984  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.963  -2.169   2.290  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -2.294  -1.831   1.375  0.00  0.00    -0.417 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.551  -1.538   0.904  0.00  0.00    +0.208 A 
ATOM     26  C   LIG    1       -3.992  -2.062  -0.320  0.00  0.00    +0.165 A 
ATOM     27  C   LIG    1       -5.288  -1.758  -0.752  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.128  -0.953   0.029  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -5.682  -0.450   1.250  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.397  -0.750   1.683  0.00  0.00    +0.169 A 
ATOM     31  F   LIG    1       -3.977  -0.267   2.861  0.00  0.00    -0.202 F 
BRANCH  26  32
ATOM     32  O   LIG    1       -3.098  -2.848  -0.996  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1       -3.470  -3.292  -2.294  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8