REMARK  Name = BDB032948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.042   0.752   0.197  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.748   1.048   0.689  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.480   2.309   1.255  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.471   3.288   1.294  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.732   3.014   0.777  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.017   1.756   0.238  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.385  -2.484  -1.229  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -3.475  -1.018  -0.882  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1       -2.315  -0.545  -0.304  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -1.558  -1.220  -0.173  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -4.483  -0.372  -1.146  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  C   LIG    1        0.344   0.026   0.617  0.00  0.00    +0.250 C 
ATOM     13  N   LIG    1        1.615   0.528   0.415  0.00  0.00    -0.276 N 
ATOM     14  H   LIG    1        1.755   1.513   0.230  0.00  0.00    +0.156 HD
ATOM     15  O   LIG    1        0.046  -1.164   0.687  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        2.737  -0.263   0.346  0.00  0.00    +0.073 A 
ATOM     17  S   LIG    1        4.163   0.596   0.005  0.00  0.00    -0.063 S 
ATOM     18  C   LIG    1        5.105  -0.833   0.053  0.00  0.00    +0.091 A 
ATOM     19  C   LIG    1        4.331  -1.942   0.329  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        2.952  -1.610   0.501  0.00  0.00    +0.032 A 
BRANCH  18  21
ATOM     21  C   LIG    1        6.516  -0.848  -0.167  0.00  0.00    +0.106 C 
ATOM     22  N   LIG    1        7.663  -0.870  -0.344  0.00  0.00    -0.190 NA
ENDBRANCH  18  21
ENDBRANCH  13  16
ENDBRANCH   2  12
TORSDOF 4