REMARK  Name = BDB001851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.623  -0.795   0.621  0.00  0.00    +0.133 A 
ATOM      2  S   LIG    1       -0.846  -2.402   1.352  0.00  0.00    -0.026 S 
ATOM      3  C   LIG    1        0.857  -2.525   1.321  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        1.409  -1.403   0.801  0.00  0.00    -0.185 N 
ATOM      5  C   LIG    1        2.771  -1.609   0.831  0.00  0.00    +0.186 A 
ATOM      6  N   LIG    1        2.972  -2.819   1.361  0.00  0.00    -0.126 NA
ATOM      7  N   LIG    1        1.750  -3.401   1.670  0.00  0.00    -0.120 NA
ATOM      8  N   LIG    1        0.595  -0.382   0.398  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  17
ATOM      9  C   LIG    1       -3.302   3.170   1.789  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -3.080   1.942   0.959  0.00  0.00    +0.040 A 
ATOM     11  N   LIG    1       -4.016   1.644   0.030  0.00  0.00    -0.252 NA
ATOM     12  C   LIG    1       -3.856   0.561  -0.751  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1       -2.750  -0.304  -0.642  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -2.647  -1.401  -1.537  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -3.631  -1.643  -2.494  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.725  -0.794  -2.579  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -1.812   0.021   0.362  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -4.822   0.296  -1.712  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -1.960   1.158   1.155  0.00  0.00    +0.034 A 
ENDBRANCH   1  17
BRANCH   5  20
ATOM     20  C   LIG    1        3.821  -0.686   0.385  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1        3.555   0.506  -0.304  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.596   1.349  -0.708  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.918   1.014  -0.432  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.203  -0.167   0.247  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.163  -1.008   0.650  0.00  0.00    +0.011 A 
ENDBRANCH   5  20
TORSDOF 2