REMARK  Name = BDB065409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.069   0.113  -1.980  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1        2.269  -0.864  -1.439  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1        2.561  -2.044  -1.307  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.957  -0.285  -1.034  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.006  -1.063  -0.498  0.00  0.00    +0.035 C 
ATOM      6  S   LIG    1        0.920   1.392  -1.414  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1        2.546   1.372  -2.068  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1        3.080   2.367  -2.532  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.286  -0.625  -0.087  0.00  0.00    +0.015 A 
ATOM     10  S   LIG    1       -2.632  -1.665  -0.360  0.00  0.00    -0.074 S 
ATOM     11  C   LIG    1       -3.759  -0.557   0.308  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1       -3.106   0.552   0.802  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -1.698   0.516   0.575  0.00  0.00    +0.017 A 
BRANCH  11  14
ATOM     14  N   LIG    1       -5.074  -0.890   0.343  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -5.305  -1.865   0.126  0.00  0.00    +0.153 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -6.216  -0.068   0.470  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -7.431  -0.556   1.003  0.00  0.00    +0.147 A 
ATOM     18  C   LIG    1       -8.550   0.275   1.195  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -8.474   1.622   0.852  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -7.293   2.130   0.320  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -6.181   1.297   0.137  0.00  0.00    +0.025 A 
BRANCH  17  22
ATOM     22  N   LIG    1       -7.569  -1.964   1.374  0.00  0.00    +0.058 N 
ATOM     23  O   LIG    1       -8.310  -2.235   2.330  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1       -6.952  -2.802   0.698  0.00  0.00    -0.126 OA
ENDBRANCH  17  22
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   5   9
BRANCH   1  25
ATOM     25  C   LIG    1        4.420  -0.170  -2.416  0.00  0.00    +0.152 C 
BRANCH  25  30
ATOM     26  C   LIG    1        8.177   0.627   1.968  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        7.236   0.413   0.820  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1        6.626  -0.831   0.625  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        5.726  -1.022  -0.425  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        5.416   0.029  -1.298  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1        6.010   1.281  -1.087  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        6.910   1.470  -0.036  0.00  0.00    +0.003 A 
ENDBRANCH  25  30
ENDBRANCH   1  25
TORSDOF 6