REMARK  Name = BDB049535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.431   1.323  -0.957  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.626   0.680  -0.792  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        2.549   0.892  -1.819  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        3.812   0.295  -1.779  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        4.170  -0.519  -0.702  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        3.242  -0.741   0.321  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        1.977  -0.141   0.279  0.00  0.00    +0.046 A 
BRANCH   5   8
ATOM      8  C   LIG    1        5.493  -1.150  -0.686  0.00  0.00    +0.028 C 
ATOM      9  C   LIG    1        6.461  -0.932   0.214  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        7.779  -1.616   0.127  0.00  0.00    +0.258 C 
ATOM     11  O   LIG    1        8.101  -2.425  -0.727  0.00  0.00    -0.269 OA
ATOM     12  N   LIG    1        8.580  -1.204   1.150  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1        9.515  -1.560   1.254  0.00  0.00    +0.159 HD
ATOM     14  C   LIG    1        8.084  -0.292   2.023  0.00  0.00    +0.283 C 
ATOM     15  O   LIG    1        8.675   0.173   2.983  0.00  0.00    -0.262 OA
ATOM     16  S   LIG    1        6.445   0.131   1.572  0.00  0.00    -0.026 S 
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.549   1.141   0.066  0.00  0.00    +0.248 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.796   1.947  -0.314  0.00  0.00    +0.148 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.125   2.761   1.623  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -2.878   1.711   0.641  0.00  0.00    -0.301 N 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.910   0.866   0.379  0.00  0.00    +0.196 A 
ATOM     22  N   LIG    1       -3.821  -0.137  -0.557  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1       -3.013  -0.340  -1.120  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -5.005  -0.826  -0.581  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1       -5.779  -0.194   0.383  0.00  0.00    +0.091 A 
ATOM     26  C   LIG    1       -7.080  -0.656   0.627  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -7.556  -1.746  -0.115  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.752  -2.362  -1.078  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.450  -1.914  -1.335  0.00  0.00    +0.028 A 
ATOM     30  N   LIG    1       -5.087   0.837   0.966  0.00  0.00    -0.214 NA
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6