REMARK  Name = BDB015707
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.999  -1.396   0.469  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.144  -0.083   0.219  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.017   0.648   0.119  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.231   0.093   0.290  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -1.251  -1.261   0.508  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.168  -2.029   0.636  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.217   2.096  -0.136  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.614   2.762  -0.963  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.457   4.113  -1.241  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.403   4.749  -2.145  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.577   4.872  -0.698  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        0.763   6.068  -0.904  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        1.513   4.139   0.193  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        1.330   2.837   0.441  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1       -2.438  -2.000   0.752  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1       -2.128  -2.957   0.943  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -3.549  -2.041  -0.523  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1       -3.712  -0.702  -1.051  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -3.165  -3.143  -1.377  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -5.069  -2.474   0.348  0.00  0.00    +0.145 C 
ATOM     21  C   LIG    1       -4.947  -3.808   1.078  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -6.236  -2.507  -0.636  0.00  0.00    +0.033 C 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  23
ATOM     23  O   LIG    1        2.126  -2.196   0.621  0.00  0.00    -0.419 OA
BRANCH  23  28
ATOM     24  C   LIG    1        6.217   0.221   2.055  0.00  0.00    +0.045 C 
ATOM     25  C   LIG    1        5.343  -0.415   1.010  0.00  0.00    -0.028 A 
ATOM     26  C   LIG    1        4.111  -1.016   1.335  0.00  0.00    +0.089 A 
ATOM     27 CL   LIG    1        3.559  -1.053   2.978  0.00  0.00    -0.079 Cl
ATOM     28  C   LIG    1        3.322  -1.587   0.328  0.00  0.00    +0.185 A 
ATOM     29  C   LIG    1        3.771  -1.585  -0.990  0.00  0.00    +0.167 A 
ATOM     30  F   LIG    1        3.033  -2.152  -1.955  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1        4.984  -0.997  -1.327  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        5.766  -0.411  -0.332  0.00  0.00    +0.008 A 
ENDBRANCH  23  28
ENDBRANCH   1  23
TORSDOF 6