REMARK  Name = BDB048015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.364  -1.208   1.341  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -1.675  -2.496   1.752  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -0.653  -3.329   1.297  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -0.713  -4.709   1.572  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.797  -5.222   2.291  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.810  -4.379   2.734  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.284  -2.511   0.617  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -2.769  -3.006   2.473  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.155  -1.196   0.656  0.00  0.00    +0.107 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        0.487  -0.007   0.128  0.00  0.00    +0.280 C 
ATOM     11  N   LIG    1        1.252  -0.271  -1.007  0.00  0.00    -0.180 N 
ATOM     12  H   LIG    1        1.260  -1.190  -1.432  0.00  0.00    +0.177 HD
ATOM     13  O   LIG    1        0.399   1.101   0.631  0.00  0.00    -0.267 OA
BRANCH  11  14
ATOM     14  S   LIG    1        2.054   0.873  -1.892  0.00  0.00    +0.075 S 
ATOM     15  O   LIG    1        2.706   0.143  -2.962  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        1.173   1.979  -2.185  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.330   1.418  -0.783  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        4.535   0.710  -0.712  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        5.561   1.152   0.140  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1        5.351   2.306   0.913  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.152   3.017   0.824  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.141   2.578  -0.029  0.00  0.00    +0.029 A 
BRANCH  19  23
ATOM     23  C   LIG    1        6.852   0.375   0.242  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        7.873   1.088   0.792  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        7.305  -0.054  -0.968  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        6.718  -0.742   1.009  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH  14  17
ENDBRANCH  11  14
ENDBRANCH   9  10
BRANCH   1  27
ATOM     27  C   LIG    1       -2.218  -0.039   1.565  0.00  0.00    +0.157 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -3.375   2.093  -1.385  0.00  0.00    +0.120 A 
ATOM     29  C   LIG    1       -2.727   1.673  -0.219  0.00  0.00    +0.051 A 
ATOM     30  C   LIG    1       -2.932   0.388   0.306  0.00  0.00    -0.024 A 
ATOM     31  C   LIG    1       -3.823  -0.470  -0.353  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.476  -0.055  -1.514  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -4.253   1.224  -2.030  0.00  0.00    +0.045 A 
BRANCH  28  35
ATOM     34  C   LIG    1       -3.503   3.753  -3.077  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -3.079   3.370  -1.776  0.00  0.00    -0.495 OA
ENDBRANCH  28  35
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 7