REMARK  Name = BDB020600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.200  -0.485   0.139  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.627  -0.451  -0.222  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1        1.929  -0.139  -1.665  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        2.554  -0.729   0.742  0.00  0.00    +0.056 A 
ATOM      5  N   LIG    1        2.082  -1.103   2.029  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1        0.732  -1.159   2.368  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        0.610  -1.553   3.682  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        1.910  -1.770   4.178  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.789  -1.493   3.153  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -0.220  -0.814   1.375  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -1.717  -1.146  -1.139  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -1.610  -2.042  -0.676  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -0.871  -0.111  -0.833  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1       -0.946   1.016  -1.307  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -2.885  -0.975  -1.972  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1       -7.597  -0.699   1.429  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1       -6.387  -0.666   0.549  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1       -5.714  -1.847   0.365  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -6.040  -2.695   0.811  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1       -4.588  -1.987  -0.406  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1       -4.014  -3.069  -0.506  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1       -4.085  -0.754  -1.099  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -4.750   0.408  -0.907  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1       -4.370   1.741  -1.490  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -5.933   0.441  -0.057  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1        4.065  -0.643   0.551  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1        4.616  -1.950  -0.019  0.00  0.00    +0.044 C 
BRANCH  26  28
ATOM     28  O   LIG    1        4.455   0.416  -0.333  0.00  0.00    -0.366 OA
BRANCH  28  29
ATOM     29  C   LIG    1        4.388   1.710   0.274  0.00  0.00    +0.196 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.882   2.753  -0.681  0.00  0.00    -0.015 A 
ATOM     31  C   LIG    1        6.168   3.264  -0.697  0.00  0.00    +0.051 A 
ATOM     32  S   LIG    1        6.405   4.428  -1.927  0.00  0.00    -0.105 S 
ATOM     33  C   LIG    1        4.790   4.266  -2.466  0.00  0.00    +0.045 A 
ATOM     34  C   LIG    1        4.087   3.352  -1.714  0.00  0.00    +0.013 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 7