REMARK  Name = BDB032825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.762  -0.371  -2.502  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -0.172  -0.999  -1.665  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.291  -0.276  -1.296  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.412  -0.680  -0.439  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -3.310   0.378  -0.427  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.792   1.544  -1.130  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -2.507  -1.747   0.136  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.516   1.035  -1.713  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -0.600   1.673  -2.528  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.543   0.963  -2.919  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.422   0.432   0.513  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.077   1.232   1.781  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -2.947   1.615   2.079  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.146   1.528   2.596  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.911   2.071   3.417  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.447   1.659   2.183  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.259   2.305   2.839  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.822   0.956   0.899  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.685   1.017  -0.111  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        2.016  -1.101  -2.913  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.048  -0.817  -1.961  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        4.289  -1.347  -0.218  0.00  0.00    -0.249 N 
ATOM     23  H   LIG    1        4.591  -0.399  -0.387  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.325  -1.805  -1.071  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        2.787  -2.901  -1.065  0.00  0.00    -0.226 OA
BRANCH  22  27
ATOM     26  C   LIG    1        5.866  -1.509   1.727  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1        4.852  -2.044   0.845  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1        4.541  -3.332   1.230  0.00  0.00    +0.090 A 
ATOM     29  S   LIG    1        5.483  -3.760   2.589  0.00  0.00    +0.005 S 
ATOM     30  N   LIG    1        6.291  -2.322   2.696  0.00  0.00    -0.213 NA
BRANCH  26  32
ATOM     31  C   LIG    1        5.620   0.911   2.344  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1        6.476  -0.141   1.655  0.00  0.00    +0.054 C 
ENDBRANCH  26  32
ENDBRANCH  22  27
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6