REMARK  Name = BDB002518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.446  -0.467  -1.073  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1        0.763  -1.429  -1.140  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.385   0.500  -1.385  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1        1.255   1.716  -1.274  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -4.897  -0.001   0.964  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.494  -0.074   0.425  0.00  0.00    -0.047 A 
ATOM      7  C   LIG    1       -2.767   1.087   0.104  0.00  0.00    -0.046 A 
ATOM      8  C   LIG    1       -3.362   2.458   0.284  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -1.455   0.970  -0.395  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -0.860  -0.279  -0.576  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1       -1.591  -1.426  -0.257  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -2.893  -1.326   0.239  0.00  0.00    +0.005 A 
ENDBRANCH   1  10
BRANCH   3  13
ATOM     13  C   LIG    1        2.674  -0.085  -1.943  0.00  0.00    +0.165 C 
BRANCH  13  14
ATOM     14  S   LIG    1        3.443  -1.266  -0.787  0.00  0.00    -0.142 S 
BRANCH  14  15
ATOM     15  C   LIG    1        3.789  -0.115   0.597  0.00  0.00    +0.165 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.605  -0.790   1.689  0.00  0.00    +0.220 C 
ATOM     17  O   LIG    1        4.412  -0.598   2.885  0.00  0.00    -0.275 OA
ATOM     18  N   LIG    1        5.644  -1.575   1.274  0.00  0.00    -0.329 N 
ATOM     19  H   LIG    1        5.593  -1.992   0.352  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        6.113  -2.104   1.998  0.00  0.00    +0.145 HD
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 5