REMARK  Name = BDB028833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.236   0.384   0.209  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        2.042   0.877  -0.318  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        0.904   0.089  -0.217  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.903  -1.126   0.370  0.00  0.00    -0.249 NA
ATOM      5  C   LIG    1        2.076  -1.587   0.855  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        3.258  -0.879   0.798  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        4.435   2.498  -0.046  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1        3.588   3.032   0.087  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1        5.311   3.002   0.023  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1        4.508   1.147   0.145  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1        5.590   0.593   0.291  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   3  12
ATOM     12  S   LIG    1       -0.630   0.720  -0.871  0.00  0.00    -0.093 S 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.678  -0.791  -0.840  0.00  0.00    +0.139 C 
ATOM     14  C   LIG    1       -2.757  -0.619  -1.901  0.00  0.00    +0.233 C 
ATOM     15  O   LIG    1       -2.572  -0.880  -3.089  0.00  0.00    -0.274 OA
ATOM     16  N   LIG    1       -3.967  -0.112  -1.488  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -4.660   0.018  -2.212  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.368   0.198  -0.214  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.493   0.640   0.004  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.349   0.015   0.883  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -2.328  -1.053   0.520  0.00  0.00    +0.033 C 
ENDBRANCH  12  13
ENDBRANCH   3  12
TORSDOF 3