REMARK  Name = BDB002453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.306  -0.948  -0.644  0.00  0.00    +0.169 A 
ATOM      2  N   LIG    1        0.728  -0.941  -1.867  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        1.300  -1.036  -2.691  0.00  0.00    +0.171 HD
ATOM      4  C   LIG    1       -0.614  -0.806  -2.026  0.00  0.00    +0.256 A 
ATOM      5  O   LIG    1       -1.133  -0.802  -3.137  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -1.402  -0.665  -0.772  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1       -0.712  -0.694   0.388  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -1.359  -0.548   1.742  0.00  0.00    +0.066 C 
ATOM      9  N   LIG    1        0.657  -0.839   0.463  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   1  10
ATOM     10  S   LIG    1        3.027  -1.140  -0.737  0.00  0.00    -0.084 S 
BRANCH  10  11
ATOM     11  C   LIG    1        3.535  -0.625   0.923  0.00  0.00    +0.104 C 
BRANCH  11  13
ATOM     12  C   LIG    1        4.568   1.659   1.138  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1        3.489   0.869   1.047  0.00  0.00    -0.023 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  14
ATOM     14  C   LIG    1       -2.893  -0.552  -0.937  0.00  0.00    +0.069 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.330   0.869  -1.165  0.00  0.00    -0.030 C 
ATOM     16  C   LIG    1       -4.114   1.568  -0.334  0.00  0.00    +0.004 C 
ENDBRANCH  14  15
ENDBRANCH   6  14
TORSDOF 5