REMARK  Name = BDB013216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.608   0.424  -0.368  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.304   1.425   0.073  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.643   1.134  -0.013  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.291   2.262   0.392  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.417   3.164   0.776  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.132  -0.093  -0.469  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.299  -1.010  -0.879  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.159   2.636   0.572  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.052  -0.728  -0.809  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.877   0.848  -0.275  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1        4.264   0.329  -1.416  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        2.874   0.188  -1.446  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.086   0.561  -0.344  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        2.724   1.110   0.782  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.113   1.257   0.820  0.00  0.00    +0.027 A 
BRANCH  10  16
ATOM     16  S   LIG    1        6.646   1.040  -0.222  0.00  0.00    -0.001 S 
ATOM     17  O   LIG    1        6.899   2.320   0.413  0.00  0.00    -0.169 OA
ATOM     18  O   LIG    1        7.156   0.762  -1.552  0.00  0.00    -0.169 OA
BRANCH  16  20
ATOM     19  C   LIG    1        8.711  -0.151   1.100  0.00  0.00    +0.032 C 
ATOM     20  C   LIG    1        7.203  -0.262   0.887  0.00  0.00    +0.130 C 
ATOM     21  C   LIG    1        6.838  -1.649   0.371  0.00  0.00    +0.032 C 
ENDBRANCH  16  20
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -3.487  -0.339  -0.509  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.630  -1.159  -1.100  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.199  -0.567   0.746  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.616  -0.985   0.448  0.00  0.00    -0.020 A 
ATOM     26  C   LIG    1       -6.690  -0.071   0.332  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1       -7.960  -0.556   0.037  0.00  0.00    +0.135 A 
ATOM     28  O   LIG    1       -8.857   0.466  -0.031  0.00  0.00    -0.463 OA
ATOM     29  C   LIG    1       -8.173   1.611   0.213  0.00  0.00    +0.196 A 
ATOM     30  C   LIG    1       -8.263  -1.900  -0.161  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1       -7.202  -2.799  -0.056  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.843   1.341   0.441  0.00  0.00    +0.050 A 
ATOM     33  C   LIG    1       -5.909  -2.355   0.238  0.00  0.00    +0.006 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6