REMARK  Name = BDB015574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.231  -1.113   0.721  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.407  -0.046   1.509  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.580   0.999   1.308  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.416   0.978   0.355  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.468  -0.152  -0.421  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.310  -1.222  -0.248  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.779   2.159   2.208  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.762   3.410   1.710  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.951   4.528   2.511  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.924   5.842   1.887  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.193   4.434   3.880  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.368   5.386   4.634  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.240   3.055   4.430  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.047   2.000   3.629  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.450  -0.395  -1.407  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        1.297  -1.309  -1.836  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        1.760   0.771  -2.564  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        0.794   1.843  -2.451  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        1.943   0.058  -3.810  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.353   1.405  -2.055  0.00  0.00    +0.191 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.546   0.559  -2.480  0.00  0.00    +0.058 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.608  -0.793  -1.795  0.00  0.00    +0.215 C 
ATOM     23  F   LIG    1        4.518  -0.604  -0.453  0.00  0.00    -0.249 F 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  24
ATOM     24  O   LIG    1       -2.098  -2.172   0.976  0.00  0.00    -0.422 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -3.832  -2.296  -1.287  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -2.839  -3.375  -0.961  0.00  0.00    -0.007 A 
ATOM     27  C   LIG    1       -1.980  -3.267   0.148  0.00  0.00    +0.152 A 
ATOM     28  C   LIG    1       -1.068  -4.288   0.453  0.00  0.00    +0.094 A 
ATOM     29  C   LIG    1       -0.983  -5.407  -0.385  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1       -1.807  -5.508  -1.506  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -2.728  -4.498  -1.792  0.00  0.00    +0.007 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -0.217  -4.210   1.604  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1        0.483  -4.160   2.529  0.00  0.00    -0.191 NA
ENDBRANCH  28  32
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 9