REMARK  Name = BDB061387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.381  -4.446  -1.391  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -1.334  -3.402  -1.142  0.00  0.00    +0.132 A 
ATOM      3  N   LIG    1       -0.051  -3.781  -1.300  0.00  0.00    -0.215 NA
ATOM      4  C   LIG    1        0.811  -2.792  -1.030  0.00  0.00    +0.146 A 
ATOM      5  C   LIG    1        0.506  -1.502  -0.627  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        1.751  -0.815  -0.452  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        2.756  -1.717  -0.759  0.00  0.00    +0.093 A 
ATOM      8  C   LIG    1       -0.855  -1.226  -0.483  0.00  0.00    +0.228 A 
ATOM      9  N   LIG    1        2.170  -2.906  -1.110  0.00  0.00    -0.345 N 
ATOM     10  H   LIG    1        2.647  -3.752  -1.385  0.00  0.00    +0.167 HD
ATOM     11  N   LIG    1       -1.771  -2.187  -0.745  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        2.022   0.550  -0.029  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1        2.956   0.812   0.976  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        3.180   2.125   1.360  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1        2.529   3.167   0.819  0.00  0.00    -0.241 NA
ATOM     16  C   LIG    1        1.627   2.895  -0.149  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1        1.348   1.621  -0.609  0.00  0.00    +0.028 A 
BRANCH  14  18
ATOM     18  N   LIG    1        4.089   2.423   2.373  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1        5.005   2.041   2.173  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        4.112   3.437   2.452  0.00  0.00    +0.144 HD
ENDBRANCH  14  18
ENDBRANCH   6  12
BRANCH   8  21
ATOM     21  O   LIG    1       -1.268   0.030  -0.105  0.00  0.00    -0.470 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.652   0.100   0.221  0.00  0.00    +0.275 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.900   1.517   0.616  0.00  0.00    +0.046 A 
ATOM     24  S   LIG    1       -2.550   2.082   2.199  0.00  0.00    -0.077 S 
ATOM     25  C   LIG    1       -3.071   3.648   1.736  0.00  0.00    +0.156 A 
ATOM     26  N   LIG    1       -3.494   3.778   0.498  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1       -3.391   2.560  -0.145  0.00  0.00    +0.125 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 5