REMARK  Name = BDB013021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.511   0.517   0.317  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.881   0.864  -0.911  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.490   0.951  -0.913  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.830   1.321  -2.182  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.251   1.432  -2.920  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.282   0.706   0.217  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.697   0.403   1.345  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.333   1.142  -2.119  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.682   0.328   1.368  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.764   0.188   0.824  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        5.226   1.244   0.095  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        3.841   1.350  -0.059  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.978   0.400   0.509  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.542  -0.671   1.222  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.928  -0.775   1.383  0.00  0.00    +0.025 A 
BRANCH  10  16
ATOM     16  N   LIG    1        7.179   0.077   0.946  0.00  0.00    -0.221 N 
ATOM     17  H   LIG    1        7.515  -0.132   1.888  0.00  0.00    +0.173 HD
BRANCH  16  19
ATOM     18  C   LIG    1        8.306   0.162  -1.501  0.00  0.00    +0.218 C 
ATOM     19  S   LIG    1        7.972  -0.945  -0.147  0.00  0.00    +0.040 S 
ATOM     20  O   LIG    1        9.237  -1.264   0.482  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1        7.077  -1.990  -0.588  0.00  0.00    -0.155 OA
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -2.652   0.791   0.107  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.080   0.725  -0.808  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.523   0.393   1.196  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.955   0.552   0.759  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1       -5.681  -0.496   0.200  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.310  -1.917  -0.003  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.465  -2.352  -0.905  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.578  -1.450  -0.715  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.996  -0.318  -0.207  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.645   0.893  -0.087  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -6.932   1.965   0.449  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -5.599   1.798   0.863  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6