REMARK  Name = BDB055063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.967  -1.278   1.753  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -1.497  -2.139   1.615  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.166  -1.092   0.907  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.157  -0.166   1.234  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        2.247   0.029   0.376  0.00  0.00    -0.007 A 
ATOM      6  C   LIG    1        3.365   0.958   0.725  0.00  0.00    +0.146 C 
ATOM      7  N   LIG    1        4.193   1.323  -0.412  0.00  0.00    -0.284 N 
ATOM      8  C   LIG    1        4.351   0.478  -1.491  0.00  0.00    +0.307 C 
ATOM      9  N   LIG    1        3.426  -0.517  -1.635  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1        3.534  -1.070  -2.474  0.00  0.00    +0.156 HD
ATOM     11  O   LIG    1        5.242   0.595  -2.330  0.00  0.00    -0.252 OA
ATOM     12  C   LIG    1        5.186   2.357  -0.190  0.00  0.00    +0.134 C 
ATOM     13  C   LIG    1        2.339  -0.723  -0.791  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        1.366  -1.666  -1.114  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        0.274  -1.848  -0.262  0.00  0.00    +0.026 A 
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1       -2.055   0.015   1.928  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1       -3.213  -0.494   2.635  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -1.334   1.166   2.432  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -3.193  -0.622  -0.498  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1       -2.555   0.361   0.263  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -2.317   1.631  -0.276  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -2.705   1.909  -1.587  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.322   0.922  -2.357  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.560  -0.344  -1.817  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.760  -2.179   0.175  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -3.370  -1.884   0.006  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 4