REMARK  Name = BDB053680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.039  -0.387  -0.517  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -1.617  -0.676  -1.299  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        0.292  -0.394  -0.819  0.00  0.00    +0.306 C 
ATOM      4  N   LIG    1        1.129  -0.050   0.200  0.00  0.00    -0.248 N 
ATOM      5  H   LIG    1        0.767   0.197   1.102  0.00  0.00    +0.158 HD
ATOM      6  O   LIG    1        0.611  -0.704  -1.962  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.488  -0.012   0.058  0.00  0.00    +0.167 A 
ATOM      8  S   LIG    1        3.312   0.455   1.477  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        4.815   0.298   0.646  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        4.560  -0.104  -0.668  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1        5.648  -0.299  -1.544  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        6.956  -0.089  -1.094  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        7.182   0.313   0.226  0.00  0.00    +0.127 A 
ATOM     14  C   LIG    1        6.119   0.515   1.124  0.00  0.00    +0.050 A 
ATOM     15  N   LIG    1        3.227  -0.276  -0.985  0.00  0.00    -0.225 NA
BRANCH  13  16
ATOM     16  N   LIG    1        8.560   0.531   0.691  0.00  0.00    +0.056 N 
ATOM     17  O   LIG    1        9.478   0.345  -0.120  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1        8.720   0.888   1.866  0.00  0.00    -0.126 OA
ENDBRANCH  13  16
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.688  -0.109   0.742  0.00  0.00    +0.141 C 
BRANCH  19  23
ATOM     20  C   LIG    1       -5.981  -0.357   0.319  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1       -5.248  -1.456   0.772  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -3.860  -1.380   0.915  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -3.183  -0.193   0.615  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -3.920   0.905   0.149  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -5.310   0.825   0.005  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -8.117   0.513  -0.255  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -7.328  -0.569   0.225  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5