REMARK  Name = BDB046064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.438   0.477  -0.090  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.997  -0.607   0.644  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        2.699  -1.204   1.065  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        0.679  -0.975   0.755  0.00  0.00    +0.260 A 
ATOM      5  O   LIG    1        0.316  -1.970   1.373  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -0.218  -0.078   0.062  0.00  0.00    +0.075 A 
ATOM      7  C   LIG    1        0.335   0.993  -0.628  0.00  0.00    +0.116 A 
ATOM      8  S   LIG    1       -0.873   1.959  -1.395  0.00  0.00    -0.073 S 
ATOM      9  C   LIG    1       -2.077   0.956  -0.810  0.00  0.00    -0.004 A 
ATOM     10  C   LIG    1       -3.550   0.994  -0.960  0.00  0.00    +0.043 C 
ATOM     11  C   LIG    1       -3.934  -0.428  -0.440  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -2.740  -0.932   0.432  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1       -1.622  -0.088  -0.054  0.00  0.00    -0.023 A 
ATOM     14  N   LIG    1        1.658   1.297  -0.727  0.00  0.00    -0.225 NA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1        3.946   0.679  -0.079  0.00  0.00    +0.153 C 
BRANCH  15  16
ATOM     16  N   LIG    1        4.627  -0.613   0.118  0.00  0.00    -0.324 NA
ATOM     17  H   LIG    1        5.629  -0.434   0.202  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1        4.531  -1.158  -0.743  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 2