REMARK  Name = BDB015711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.008  -1.456   0.317  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.181  -0.157   0.016  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.074   0.606  -0.062  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.183   0.094   0.168  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -1.236  -1.253   0.421  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.171  -2.050   0.531  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.306   2.041  -0.363  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.535   2.711  -1.176  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.349   4.049  -1.494  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.310   4.690  -2.378  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.726   4.790  -1.008  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        0.937   5.975  -1.251  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        1.672   4.051  -0.135  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        1.461   2.761   0.153  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1       -2.435  -1.951   0.721  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1       -2.146  -2.912   0.925  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -3.587  -1.988  -0.516  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1       -3.732  -0.657  -1.068  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -3.260  -3.119  -1.357  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -5.089  -2.362   0.412  0.00  0.00    +0.145 C 
ATOM     21  C   LIG    1       -4.978  -3.683   1.167  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -6.288  -2.384  -0.532  0.00  0.00    +0.033 C 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  23
ATOM     23  O   LIG    1        2.112  -2.293   0.419  0.00  0.00    -0.418 OA
BRANCH  23  28
ATOM     24  C   LIG    1        5.694   0.349   2.507  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1        5.139  -0.399   1.333  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1        3.881  -1.009   1.419  0.00  0.00    +0.171 A 
ATOM     27  F   LIG    1        3.196  -0.944   2.571  0.00  0.00    -0.201 F 
ATOM     28  C   LIG    1        3.332  -1.677   0.327  0.00  0.00    +0.202 A 
ATOM     29  C   LIG    1        4.053  -1.757  -0.858  0.00  0.00    +0.168 A 
ATOM     30  F   LIG    1        3.551  -2.415  -1.913  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1        5.301  -1.149  -0.971  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        5.842  -0.464   0.121  0.00  0.00    +0.009 A 
ENDBRANCH  23  28
ENDBRANCH   1  23
TORSDOF 6