REMARK  Name = BDB061212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.328  -0.020  -1.980  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -0.699  -0.086  -2.926  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.218  -0.304  -0.899  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -2.503   0.287  -0.814  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1       -3.334  -0.041   0.292  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -4.638   0.510   0.329  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -5.105   1.378  -0.659  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.280   1.722  -1.718  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.832  -0.897   1.315  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -1.580  -1.504   1.159  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -2.998   1.181  -1.795  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -0.769  -1.195   0.073  0.00  0.00    +0.027 A 
BRANCH   9  13
ATOM     13  N   LIG    1       -3.632  -1.323   2.398  0.00  0.00    -0.357 N 
ATOM     14  H   LIG    1       -4.294  -0.621   2.709  0.00  0.00    +0.142 HD
ATOM     15  H   LIG    1       -3.094  -1.690   3.177  0.00  0.00    +0.142 HD
ENDBRANCH   9  13
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1        0.747   1.270  -1.813  0.00  0.00    +0.072 S 
ATOM     17  O   LIG    1        0.140   2.318  -1.022  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        1.254   1.539  -3.142  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1        4.177  -0.569   0.580  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        4.026  -0.858  -0.780  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        2.981  -0.298  -1.517  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        2.074   0.549  -0.879  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        2.219   0.856   0.476  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1        3.271   0.291   1.206  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     25  C   LIG    1        5.473  -0.888   2.549  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        5.242  -1.185   1.178  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 5