REMARK  Name = BDB012144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.138  -2.075  -0.879  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.144  -2.139  -0.193  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1        0.300  -2.442   1.268  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        1.216  -1.938  -1.062  0.00  0.00    +0.072 A 
ATOM      5  S   LIG    1        0.671  -1.844  -2.694  0.00  0.00    -0.081 S 
ATOM      6  C   LIG    1       -0.959  -1.962  -2.243  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.548  -1.844  -0.718  0.00  0.00    -0.321 N 
ATOM      8  C   LIG    1        2.966  -0.705   0.142  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        4.325  -0.993   0.811  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        5.376  -1.615  -0.103  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1        4.802  -2.803  -0.856  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1        3.549  -2.409  -1.628  0.00  0.00    +0.106 C 
BRANCH   8  13
ATOM     13  C   LIG    1        2.822   0.680  -0.560  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1        3.995   1.123  -1.445  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1        3.739   2.505  -2.050  0.00  0.00    +0.081 C 
ATOM     16  N   LIG    1        3.509   3.513  -1.014  0.00  0.00    -0.316 NA
ATOM     17  H   LIG    1        4.339   3.582  -0.427  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        2.363   3.149  -0.181  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1        2.552   1.786   0.485  0.00  0.00    +0.020 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  22
ATOM     20  N   LIG    1       -2.627  -1.572   0.921  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -1.879  -0.980   1.259  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1       -2.489  -2.153  -0.317  0.00  0.00    +0.245 C 
ATOM     23  O   LIG    1       -3.429  -2.641  -0.935  0.00  0.00    -0.270 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -3.917  -1.379   1.541  0.00  0.00    +0.145 C 
BRANCH  24  31
ATOM     25  C   LIG    1       -5.653   4.083   0.540  0.00  0.00    +0.063 C 
ATOM     26  C   LIG    1       -5.277   2.646   0.728  0.00  0.00    +0.016 A 
ATOM     27  N   LIG    1       -4.220   2.379   1.562  0.00  0.00    -0.326 N 
ATOM     28  H   LIG    1       -3.724   3.139   2.012  0.00  0.00    +0.169 HD
ATOM     29  C   LIG    1       -3.739   1.123   1.826  0.00  0.00    +0.254 A 
ATOM     30  O   LIG    1       -2.763   0.951   2.552  0.00  0.00    -0.268 OA
ATOM     31  C   LIG    1       -4.452  -0.025   1.171  0.00  0.00    +0.037 A 
ATOM     32  C   LIG    1       -5.494   0.246   0.354  0.00  0.00    -0.039 A 
ATOM     33  C   LIG    1       -6.309  -0.773  -0.394  0.00  0.00    +0.044 C 
ATOM     34  C   LIG    1       -5.906   1.625   0.128  0.00  0.00    +0.024 A 
ENDBRANCH  24  31
ENDBRANCH  20  24
ENDBRANCH   1  22
TORSDOF 5