REMARK  Name = BDB012109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.009  -1.778  -0.449  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.150  -1.838   0.317  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1        0.201  -1.661   1.805  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        1.336  -2.072  -0.495  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        1.004  -2.136  -1.835  0.00  0.00    +0.060 A 
ATOM      6  S   LIG    1       -0.654  -1.910  -2.126  0.00  0.00    -0.081 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.702  -2.245   0.020  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        3.706  -1.930  -0.867  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.476  -1.426  -1.715  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.929  -2.623   1.166  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        5.096  -1.896  -0.475  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.460  -0.503  -0.043  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.568   0.488  -1.171  0.00  0.00    +0.256 A 
ATOM     14  O   LIG    1        5.300   0.124  -2.318  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1        5.961   1.788  -0.846  0.00  0.00    -0.315 N 
ATOM     16  C   LIG    1        6.072   2.753  -1.934  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1        6.207   2.182   0.468  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1        6.600   3.604   0.762  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        6.085   1.288   1.462  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        5.712  -0.091   1.216  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        5.638  -0.944   2.454  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  N   LIG    1       -2.306  -1.646  -0.029  0.00  0.00    -0.322 N 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.026  -0.397  -0.342  0.00  0.00    +0.074 C 
ATOM     24  C   LIG    1       -3.186   0.470   0.919  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -4.096   1.660   0.631  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -5.521   1.262   0.154  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1       -5.563  -0.241  -0.215  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -4.364  -0.676  -1.053  0.00  0.00    +0.024 C 
BRANCH  26  29
ATOM     29  N   LIG    1       -5.949   2.195  -0.922  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1       -6.128   3.560  -0.402  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1       -7.186   1.789  -1.593  0.00  0.00    +0.104 C 
ENDBRANCH  26  29
ENDBRANCH  22  23
BRANCH  22  33
ATOM     32  C   LIG    1       -2.925  -4.015   0.298  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -2.882  -2.618   0.903  0.00  0.00    +0.102 C 
ENDBRANCH  22  33
ENDBRANCH   1  22
TORSDOF 7