REMARK  Name = BDB033445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.961  -0.078  -0.881  0.00  0.00    -0.211 N 
ATOM      2  H   LIG    1        0.854   0.609  -1.630  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1        6.497  -1.675  -0.487  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        5.070  -1.197  -0.540  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1        4.672   0.111  -0.147  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        3.316   0.462  -0.227  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1        3.208   1.766   0.215  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        2.328   2.263   0.319  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1        4.436   2.258   0.562  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1        2.332  -0.430  -0.678  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1        2.740  -1.697  -1.091  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.362   1.262   0.350  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1        4.077  -2.078  -1.013  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1        6.763   1.403   0.602  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1        7.901   1.517   0.802  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.111   0.433   0.491  0.00  0.00    +0.108 S 
ATOM     17  O   LIG    1        0.452   1.825   0.708  0.00  0.00    -0.147 OA
ATOM     18  O   LIG    1        0.221  -0.559   1.537  0.00  0.00    -0.147 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -1.605   0.449   0.051  0.00  0.00    +0.292 A 
ATOM     20  O   LIG    1       -2.002   0.938  -1.164  0.00  0.00    -0.334 OA
ATOM     21  N   LIG    1       -3.370   0.847  -1.295  0.00  0.00    -0.080 NA
ATOM     22  C   LIG    1       -3.822   0.306  -0.157  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1       -2.743   0.039   0.720  0.00  0.00    +0.098 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -5.300   0.048   0.073  0.00  0.00    +0.008 C 
ATOM     25  C   LIG    1       -5.539  -1.459   0.298  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -6.167   0.493  -1.124  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -5.780   0.820   1.319  0.00  0.00    +0.017 C 
ENDBRANCH  22  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5