REMARK  Name = BDB052099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.246   0.374  -0.217  0.00  0.00    +0.023 A 
ATOM      2  S   LIG    1        2.463  -1.117   0.134  0.00  0.00    -0.085 S 
ATOM      3  C   LIG    1        0.895  -0.409   0.151  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.977   0.957  -0.075  0.00  0.00    +0.084 A 
ATOM      5  N   LIG    1       -0.106   1.768  -0.088  0.00  0.00    -0.226 NA
ATOM      6  C   LIG    1       -1.271   1.156   0.144  0.00  0.00    +0.165 A 
ATOM      7  N   LIG    1       -1.434  -0.161   0.369  0.00  0.00    -0.211 NA
ATOM      8  C   LIG    1       -0.363  -0.992   0.372  0.00  0.00    +0.140 A 
ATOM      9  C   LIG    1        2.317   1.396  -0.285  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.474   1.985   0.151  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.463   3.352  -0.050  0.00  0.00    +0.127 A 
ATOM     12  N   LIG    1       -3.563   4.144  -0.048  0.00  0.00    -0.222 NA
ATOM     13  C   LIG    1       -4.730   3.540   0.182  0.00  0.00    +0.213 A 
ATOM     14  N   LIG    1       -4.878   2.228   0.370  0.00  0.00    -0.222 NA
ATOM     15  C   LIG    1       -3.746   1.485   0.356  0.00  0.00    +0.127 A 
BRANCH  13  16
ATOM     16  N   LIG    1       -5.866   4.319   0.176  0.00  0.00    -0.327 N 
ATOM     17  H   LIG    1       -6.666   3.753  -0.065  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -5.703   5.154  -0.368  0.00  0.00    +0.145 HD
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   8  19
ATOM     19  N   LIG    1       -0.542  -2.369   0.596  0.00  0.00    -0.310 N 
ATOM     20  C   LIG    1       -0.434  -3.119  -0.682  0.00  0.00    +0.134 C 
ATOM     21  C   LIG    1       -1.188  -4.455  -0.589  0.00  0.00    +0.178 C 
ATOM     22  O   LIG    1       -2.596  -4.292  -0.354  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -2.908  -3.130   0.435  0.00  0.00    +0.178 C 
ATOM     24  C   LIG    1       -1.763  -2.704   1.366  0.00  0.00    +0.134 C 
ENDBRANCH   8  19
BRANCH   1  26
ATOM     25  C   LIG    1        5.450   0.436   0.995  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        4.756   0.441  -0.369  0.00  0.00    +0.091 C 
ATOM     27  C   LIG    1        5.212   1.652  -1.186  0.00  0.00    +0.047 C 
BRANCH  26  28
ATOM     28  O   LIG    1        5.173  -0.715  -1.101  0.00  0.00    -0.384 OA
ATOM     29  H   LIG    1        4.819  -1.491  -0.632  0.00  0.00    +0.211 HD
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 5