REMARK  Name = BDB015590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.024   0.107   0.649  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.840   1.429   0.630  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.433   1.824   0.523  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.499   1.007   0.467  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.258  -0.318   0.509  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.016  -0.824   0.632  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.459  -1.188   0.465  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.438  -2.342  -0.230  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.542  -3.180  -0.310  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.426  -4.406  -1.083  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.753  -2.881   0.310  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.758  -3.584   0.277  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.792  -1.598   1.056  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.708  -0.815   1.115  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.395  -0.219   0.815  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.885   0.679   0.849  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.074  -1.160  -0.412  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        2.201  -2.283  -0.690  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.479  -0.259  -1.466  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.529  -1.816   0.394  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.407  -0.801   1.120  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.971  -0.322  -0.843  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.090   0.258   0.252  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -0.620   3.201   0.519  0.00  0.00    -0.419 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.905   3.619   0.279  0.00  0.00    +0.185 A 
ATOM     26  C   LIG    1       -2.769   3.938   1.329  0.00  0.00    +0.086 A 
ATOM     27 CL   LIG    1       -2.277   3.791   2.976  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -4.066   4.384   1.054  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -4.496   4.521  -0.269  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.627   4.218  -1.317  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -2.337   3.775  -1.037  0.00  0.00    +0.167 A 
ATOM     32  F   LIG    1       -1.510   3.497  -2.055  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8