REMARK  Name = BDB058521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.058   0.180   0.609  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.519  -1.101   0.611  0.00  0.00    +0.027 A 
ATOM      3  S   LIG    1        1.743  -2.292   0.819  0.00  0.00    -0.091 S 
ATOM      4  C   LIG    1        2.987  -1.125   0.901  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        2.482   0.153   0.772  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -1.295   3.748   0.128  0.00  0.00    -0.042 A 
ATOM      7  C   LIG    1       -1.545   2.848   1.177  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.781   1.686   1.339  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        0.253   1.387   0.450  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        0.524   2.273  -0.594  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -0.241   3.434  -0.752  0.00  0.00    +0.005 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -1.191   6.263  -0.004  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -2.119   5.031  -0.081  0.00  0.00    -0.013 C 
ATOM     14  C   LIG    1       -3.235   5.234   0.968  0.00  0.00    +0.015 C 
ATOM     15  C   LIG    1       -2.797   4.991  -1.467  0.00  0.00    +0.015 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  C   LIG    1       -0.868  -1.551   0.433  0.00  0.00    -0.011 A 
ATOM     17  C   LIG    1       -1.576  -1.224  -0.726  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -2.906  -1.630  -0.896  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.573  -2.377   0.087  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -2.847  -2.700   1.250  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -1.519  -2.294   1.422  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -5.032  -2.838  -0.066  0.00  0.00    -0.013 C 
ATOM     23  C   LIG    1       -5.886  -2.247   1.077  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -5.688  -2.405  -1.397  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -5.099  -4.380  -0.004  0.00  0.00    +0.015 C 
ENDBRANCH  19  22
ENDBRANCH   2  16
BRANCH   4  26
ATOM     26  C   LIG    1        4.414  -1.542   1.097  0.00  0.00    +0.123 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.106  -1.592  -0.192  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1        5.017  -0.690  -0.656  0.00  0.00    +0.122 HD
BRANCH  27  29
ATOM     29  C   LIG    1        6.518  -1.936  -0.023  0.00  0.00    +0.082 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.213  -1.970  -1.386  0.00  0.00    +0.030 C 
BRANCH  30  31
ATOM     31  C   LIG    1        8.722  -2.211  -1.289  0.00  0.00    +0.079 C 
BRANCH  31  32
ATOM     32  N   LIG    1        9.056  -3.542  -0.797  0.00  0.00    -0.330 NA
ATOM     33  H   LIG    1       10.069  -3.658  -0.792  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1        8.753  -3.654   0.168  0.00  0.00    +0.118 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 10