REMARK  Name = BDB063888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.856  -3.964  -0.088  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.377  -2.878  -0.343  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.007  -1.532  -0.255  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.264  -1.367   0.175  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.099  -0.576  -0.655  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.026  -1.247  -0.951  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.128  -2.584  -0.783  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.563  -3.282  -0.983  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.982  -0.090   0.319  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.900   0.039   1.375  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.619   1.240   1.509  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.458   2.302   0.617  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.234   3.421   0.876  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.966   3.205   1.944  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.549   2.155  -0.447  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.785   1.681   2.700  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.827   0.962  -0.588  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.111  -0.653  -1.396  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.037   0.360  -1.351  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.461  -1.179  -1.251  0.00  0.00    +0.075 C 
ATOM     21  C   LIG    1       -2.887  -1.143   0.228  0.00  0.00    +0.053 C 
ATOM     22  C   LIG    1       -4.376  -0.888   0.455  0.00  0.00    +0.116 C 
ATOM     23  C   LIG    1       -4.828   0.566   0.245  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -3.893   1.457  -0.569  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -3.652   1.020  -2.009  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.395  -0.468  -2.243  0.00  0.00    +0.022 C 
BRANCH  22  27
ATOM     27  O   LIG    1       -4.707  -1.276   1.791  0.00  0.00    -0.392 OA
ATOM     28  H   LIG    1       -4.194  -0.722   2.405  0.00  0.00    +0.210 HD
ENDBRANCH  22  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4