REMARK  Name = BDB060390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.661   1.388  -0.602  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        1.421   0.388   0.061  0.00  0.00    +0.310 C 
ATOM      3  N   LIG    1        0.168  -0.123   0.325  0.00  0.00    -0.248 N 
ATOM      4  H   LIG    1        0.083  -1.075   0.641  0.00  0.00    +0.158 HD
ATOM      5  N   LIG    1        2.395  -0.398   0.668  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        2.063  -1.024   1.387  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.796  -0.273   0.549  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        4.430   0.543  -0.392  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        5.832   0.593  -0.434  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1        6.608  -0.166   0.450  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.974  -0.988   1.379  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.578  -1.042   1.423  0.00  0.00    +0.023 A 
BRANCH   9  13
ATOM     13  N   LIG    1        6.500   1.447  -1.423  0.00  0.00    +0.056 N 
ATOM     14  O   LIG    1        5.822   1.889  -2.361  0.00  0.00    -0.126 OA
ATOM     15  O   LIG    1        7.710   1.668  -1.264  0.00  0.00    -0.126 OA
ENDBRANCH   9  13
ENDBRANCH   5   7
BRANCH   3  16
ATOM     16  C   LIG    1       -1.038   0.418  -0.039  0.00  0.00    +0.166 A 
ATOM     17  S   LIG    1       -1.211   1.999  -0.641  0.00  0.00    -0.060 S 
ATOM     18  C   LIG    1       -2.905   1.762  -0.753  0.00  0.00    +0.076 A 
ATOM     19  C   LIG    1       -3.234   0.492  -0.316  0.00  0.00    +0.080 A 
ATOM     20  N   LIG    1       -2.149  -0.264   0.113  0.00  0.00    -0.225 NA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.593  -0.045  -0.266  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.641   0.500  -1.023  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -6.929  -0.040  -0.951  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -7.185  -1.132  -0.124  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.154  -1.688   0.629  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.867  -1.149   0.556  0.00  0.00    +0.010 A 
ENDBRANCH  19  21
ENDBRANCH   3  16
TORSDOF 4