REMARK  Name = BDB012141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.688  -0.125  -0.779  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.421   0.574  -0.308  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1        0.582   1.040   1.109  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        1.424   0.793  -1.339  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        1.020   0.230  -2.535  0.00  0.00    +0.060 A 
ATOM      6  S   LIG    1       -0.487  -0.549  -2.433  0.00  0.00    -0.081 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.682   1.532  -1.159  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        3.682   1.212  -2.050  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.582   0.390  -2.632  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.837   2.358  -0.266  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        5.024   1.731  -1.917  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.859   0.756  -1.138  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        6.231  -0.485  -1.896  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.824  -0.694  -3.037  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        7.035  -1.386  -1.249  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        7.273  -2.215  -1.779  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        7.493  -1.235   0.036  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        8.350  -2.331   0.589  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        7.151  -0.136   0.723  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        6.316   0.899   0.127  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        6.034   2.067   1.033  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  N   LIG    1       -1.817  -0.438  -0.050  0.00  0.00    -0.321 N 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.735   0.709   0.223  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1       -3.833   0.887  -0.829  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1       -5.145   0.183  -0.495  0.00  0.00    +0.086 C 
ATOM     26  N   LIG    1       -5.597   0.530   0.856  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1       -4.628   0.064   1.856  0.00  0.00    +0.086 C 
ATOM     28  C   LIG    1       -3.260   0.712   1.664  0.00  0.00    +0.038 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.972   0.091   1.175  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1       -7.997   0.963   0.437  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -7.267  -1.393   0.922  0.00  0.00    +0.024 C 
ENDBRANCH  26  29
ENDBRANCH  22  23
BRANCH  22  33
ATOM     32  C   LIG    1       -1.425  -2.856   0.300  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -2.391  -1.783  -0.192  0.00  0.00    +0.102 C 
ENDBRANCH  22  33
ENDBRANCH   1  22
TORSDOF 7