REMARK  Name = BDB049736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.034  -0.789   0.145  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        0.102  -1.832   0.175  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -1.273  -1.577   0.113  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.769  -0.268   0.020  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -0.832   0.775  -0.012  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.547   0.516   0.053  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.233  -0.062  -0.044  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1       -3.937   1.510  -0.091  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1       -5.512   0.826  -0.146  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -5.400  -0.563  -0.122  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -6.576  -1.339  -0.159  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -7.824  -0.710  -0.217  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -7.911   0.679  -0.240  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.759   1.470  -0.204  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1       -4.107  -1.051  -0.064  0.00  0.00    -0.239 NA
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.399  -1.111   0.238  0.00  0.00    -0.299 N 
ATOM     17  H   LIG    1        2.670  -1.860  -0.394  0.00  0.00    +0.154 HD
BRANCH  16  20
ATOM     18  C   LIG    1        5.764   0.021   0.089  0.00  0.00    +0.217 A 
ATOM     19  N   LIG    1        4.651  -0.686  -0.147  0.00  0.00    -0.199 NA
ATOM     20  C   LIG    1        3.527  -0.327   0.498  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        3.510   0.713   1.401  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        4.695   1.381   1.577  0.00  0.00    +0.118 A 
ATOM     23  N   LIG    1        5.825   1.063   0.926  0.00  0.00    -0.223 NA
BRANCH  18  25
ATOM     24  C   LIG    1        7.795   0.675  -0.971  0.00  0.00    +0.128 C 
ATOM     25  N   LIG    1        6.893  -0.392  -0.606  0.00  0.00    -0.316 N 
ATOM     26  H   LIG    1        6.556  -0.962  -1.373  0.00  0.00    +0.149 HD
ENDBRANCH  18  25
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 4