REMARK  Name = BDB045700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.280  -1.818   0.996  0.00  0.00    -0.079 S 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -5.246   0.766  -0.164  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -4.489  -0.395  -0.357  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -3.184  -0.443   0.161  0.00  0.00    +0.093 A 
ATOM      5  C   LIG    1       -2.681   0.656   0.852  0.00  0.00    +0.067 A 
ATOM      6  N   LIG    1       -1.415   0.274   1.213  0.00  0.00    -0.333 N 
ATOM      7  H   LIG    1       -0.725   0.825   1.711  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1       -1.208  -0.986   0.730  0.00  0.00    +0.168 A 
ATOM      9  C   LIG    1       -3.406   1.827   1.060  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1       -2.254  -1.456   0.097  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1       -4.704   1.854   0.533  0.00  0.00    +0.048 A 
BRANCH   2  13
ATOM     12  C   LIG    1       -7.133  -0.114  -1.314  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -6.528   0.964  -0.609  0.00  0.00    -0.495 OA
ENDBRANCH   2  13
ENDBRANCH   1   8
BRANCH   1  14
ATOM     14  C   LIG    1        1.445  -0.755   0.082  0.00  0.00    +0.173 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.943   0.372   0.979  0.00  0.00    +0.228 C 
ATOM     16  N   LIG    1        3.283   0.568   1.180  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        3.463   1.081   2.037  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        1.159   1.081   1.625  0.00  0.00    -0.275 OA
BRANCH  16  19
ATOM     19  C   LIG    1        4.402   0.052   0.500  0.00  0.00    +0.052 A 
ATOM     20  C   LIG    1        4.536  -0.046  -0.896  0.00  0.00    +0.062 A 
ATOM     21 CL   LIG    1        3.400   0.647  -2.001  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        5.699  -0.590  -1.456  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        6.748  -1.006  -0.637  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.649  -0.854   0.742  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.490  -0.314   1.305  0.00  0.00    +0.025 A 
ENDBRANCH  16  19
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 5