REMARK  Name = BDB015669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.644  -0.414  -0.608  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -1.526  -1.414  -0.603  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -2.692  -1.141   0.002  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -3.021   0.032   0.562  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -2.093   1.009   0.523  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.873   0.837  -0.093  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.487   2.297   1.146  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.593   3.001   1.869  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.917   4.207   2.475  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.887   4.898   3.235  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.189   4.768   2.391  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.528   5.834   2.896  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.188   3.981   1.625  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.841   2.822   1.051  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        0.538  -0.762  -1.309  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        0.395  -1.711  -1.664  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        1.963  -0.755  -0.395  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.161  -2.121   0.035  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        1.929   0.341   0.549  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.175  -0.378  -1.679  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        2.966   1.020  -2.254  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.616  -0.624  -1.198  0.00  0.00    +0.027 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.576   0.028   0.244  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        5.137   0.348  -0.136  0.00  0.00    -0.001 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  25
ATOM     25  O   LIG    1       -3.677  -2.118   0.082  0.00  0.00    -0.419 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.347  -3.338  -0.451  0.00  0.00    +0.185 A 
ATOM     27  C   LIG    1       -2.817  -4.356   0.345  0.00  0.00    +0.086 A 
ATOM     28 CL   LIG    1       -2.524  -4.120   2.029  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -2.515  -5.598  -0.221  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -2.754  -5.829  -1.578  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.300  -4.819  -2.369  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -3.597  -3.583  -1.800  0.00  0.00    +0.167 A 
ATOM     33  F   LIG    1       -4.126  -2.623  -2.573  0.00  0.00    -0.202 F 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8