REMARK  Name = BDB033440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.187   1.376   2.584  0.00  0.00    -0.211 N 
ATOM      2  H   LIG    1       -1.502   1.552   3.540  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -1.782  -1.820  -0.840  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.444  -1.771   0.543  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -1.501  -0.428   0.931  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -1.211  -0.012   2.238  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -0.843  -0.986   3.171  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -0.786  -2.332   2.813  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.890   0.296  -0.177  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -2.015   1.301  -0.189  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.083  -2.736   1.507  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -2.045  -0.533  -1.256  0.00  0.00    +0.102 A 
BRANCH   3  14
ATOM     13  N   LIG    1       -1.875  -3.925  -2.346  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -1.837  -2.980  -1.673  0.00  0.00    +0.101 C 
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  S   LIG    1        0.333   2.139   2.419  0.00  0.00    +0.108 S 
ATOM     16  O   LIG    1        1.333   1.337   3.091  0.00  0.00    -0.147 OA
ATOM     17  O   LIG    1        0.138   3.532   2.753  0.00  0.00    -0.147 OA
BRANCH  15  18
ATOM     18  C   LIG    1        0.767   2.112   0.703  0.00  0.00    +0.292 A 
ATOM     19  O   LIG    1        0.034   2.835  -0.206  0.00  0.00    -0.334 OA
ATOM     20  N   LIG    1        0.477   2.578  -1.491  0.00  0.00    -0.081 NA
ATOM     21  C   LIG    1        1.488   1.722  -1.345  0.00  0.00    +0.089 A 
ATOM     22  C   LIG    1        1.730   1.411  -0.001  0.00  0.00    +0.097 A 
BRANCH  21  23
ATOM     23  C   LIG    1        2.283   1.135  -2.537  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        1.531   0.505  -3.683  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        2.314  -0.359  -2.739  0.00  0.00    +0.010 C 
ENDBRANCH  21  23
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5