REMARK  Name = BDB004554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.671  -0.619  -1.647  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -1.850  -0.470  -0.509  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -0.955   0.618  -0.487  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.128   0.737   0.652  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.224  -0.105   1.691  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.105  -1.096   1.581  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -0.921   1.532  -1.572  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -1.741   1.371  -2.680  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -1.907  -1.327   0.536  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -2.611   0.294  -2.718  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -3.756  -2.665  -0.818  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -3.194  -2.590   0.025  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -4.435  -3.406  -0.907  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -3.659  -1.733  -1.807  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -4.372  -1.821  -2.802  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.794   1.802   0.727  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        1.356   1.808  -0.121  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.678   1.823   1.893  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.892   0.941   1.776  0.00  0.00    +0.007 A 
ATOM     20  S   LIG    1        4.218   1.424   0.802  0.00  0.00    -0.100 S 
ATOM     21  C   LIG    1        5.090   0.000   1.174  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        4.388  -0.831   2.017  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        3.118  -0.288   2.364  0.00  0.00    +0.013 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4