REMARK  Name = BDB015703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.316  -0.086  -0.567  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -2.098   0.895  -1.041  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.558   2.126  -1.119  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.262   2.381  -0.727  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.447   1.296  -0.268  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.052   0.065  -0.144  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.434   3.208  -1.637  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.747   3.176  -1.332  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.634   4.154  -1.760  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -6.033   4.030  -1.384  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.235   5.232  -2.545  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.969   6.127  -2.951  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.794   5.262  -2.904  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.964   4.302  -2.475  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.767   1.474   0.198  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.123   2.426   0.264  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.944   0.455  -0.424  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        2.536  -0.038  -1.722  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        4.179   1.206  -0.295  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.996  -0.895   0.762  0.00  0.00    +0.189 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.227  -0.404   2.191  0.00  0.00    +0.027 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.520  -1.505   3.229  0.00  0.00    -0.016 C 
ATOM     23  C   LIG    1        4.859  -2.200   2.973  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1        2.395  -2.532   3.321  0.00  0.00    +0.007 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  25
ATOM     25  O   LIG    1       -1.919  -1.337  -0.555  0.00  0.00    -0.422 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -0.328  -2.603  -2.591  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -0.370  -3.074  -1.165  0.00  0.00    -0.007 A 
ATOM     28  C   LIG    1       -1.125  -2.398  -0.190  0.00  0.00    +0.153 A 
ATOM     29  C   LIG    1       -1.158  -2.862   1.131  0.00  0.00    +0.084 A 
ATOM     30 CL   LIG    1       -2.105  -2.075   2.341  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1       -0.418  -3.987   1.494  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1        0.358  -4.646   0.541  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        0.385  -4.189  -0.777  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 8