REMARK  Name = BDB023138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.011   0.906  -2.693  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.369   1.690  -2.665  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.860  -0.170  -1.806  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.764  -0.959  -1.565  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.448  -0.203  -1.179  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.600  -0.979  -0.059  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        1.882  -0.844   0.369  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.580   0.008  -0.470  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.925   0.254  -0.172  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.514  -0.349   0.945  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.785  -1.212   1.778  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.654   1.073  -0.941  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        2.432  -1.465   1.492  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.654   0.419  -1.464  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        4.391  -1.793   2.911  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        5.788  -2.053   3.120  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        5.356  -2.930   4.298  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        3.998  -2.995   3.591  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.468   1.343  -3.363  0.00  0.00    +0.079 S 
ATOM     20  O   LIG    1       -2.827   0.275  -4.270  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.287   2.692  -3.853  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -3.212   2.036  -0.799  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.643   1.446  -2.013  0.00  0.00    +0.154 A 
ATOM     24  C   LIG    1       -4.972   0.965  -2.165  0.00  0.00    -0.002 A 
ATOM     25  C   LIG    1       -5.487   0.421  -3.473  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -5.812   1.001  -1.037  0.00  0.00    +0.046 A 
ATOM     27 CL   LIG    1       -7.417   0.352  -1.044  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -5.379   1.558   0.166  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -4.092   2.080   0.283  0.00  0.00    +0.049 A 
BRANCH  22  31
ATOM     30  C   LIG    1       -1.544   3.259   0.422  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -1.937   2.539  -0.744  0.00  0.00    -0.493 OA
ENDBRANCH  22  31
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5