REMARK  Name = BDB019060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.606  -0.581  -1.094  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -0.027  -1.787  -1.492  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -1.390  -1.746  -1.685  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -1.762  -2.989  -2.126  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -0.745  -3.825  -2.162  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -2.157  -0.586  -1.472  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.567   0.527  -1.119  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.344  -3.080  -1.784  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1       -0.197   0.496  -0.938  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.789  -0.173  -0.328  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1        4.022  -1.038   0.457  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        2.654  -1.163   0.205  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.051  -0.433  -0.831  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        2.841   0.415  -1.623  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.210   0.544  -1.377  0.00  0.00    +0.027 A 
BRANCH  10  16
ATOM     16  S   LIG    1        6.536  -0.031  -0.011  0.00  0.00    -0.001 S 
ATOM     17  O   LIG    1        7.127   0.678  -1.130  0.00  0.00    -0.169 OA
ATOM     18  O   LIG    1        6.993  -1.362   0.343  0.00  0.00    -0.169 OA
BRANCH  16  20
ATOM     19  C   LIG    1        6.039   2.392   1.216  0.00  0.00    +0.032 C 
ATOM     20  C   LIG    1        6.641   1.011   1.451  0.00  0.00    +0.130 C 
ATOM     21  C   LIG    1        8.097   1.133   1.897  0.00  0.00    +0.032 C 
ENDBRANCH  16  20
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -3.524  -0.590  -1.635  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.850   0.375  -1.594  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.362  -1.446  -0.799  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.544  -0.685  -0.272  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.423   0.301   0.705  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.216   0.851   1.369  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -4.889   1.631   2.499  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.246   1.942   2.110  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.536   0.998   1.160  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.805   0.761   0.672  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.952  -0.227  -0.300  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -6.834  -0.936  -0.759  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -7.017  -1.878  -1.696  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6