REMARK  Name = BDB010472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.201   1.550  -0.198  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -1.402   0.226  -0.109  0.00  0.00    +0.051 C 
ATOM      3  C   LIG    1       -2.039  -0.445   1.126  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1       -3.381   0.129   1.282  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1       -3.616   1.056   0.174  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -4.432  -0.824   1.635  0.00  0.00    +0.090 C 
ATOM      7  C   LIG    1       -5.054  -1.604   0.508  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -6.327  -1.110   0.187  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -7.078  -1.660  -0.841  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -6.551  -2.745  -1.545  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -5.289  -3.260  -1.214  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.689   0.053   1.056  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1       -4.545  -2.687  -0.185  0.00  0.00    +0.128 A 
ATOM     14  F   LIG    1       -3.350  -3.205   0.125  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -5.686  -0.111   2.205  0.00  0.00    +0.028 C 
ENDBRANCH   4   6
BRANCH   2  16
ATOM     16  C   LIG    1        0.111   0.270  -0.029  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        0.846   1.456  -0.036  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        2.248   1.440   0.038  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        2.979   0.246   0.109  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        2.228  -0.938   0.112  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        0.827  -0.931   0.039  0.00  0.00    +0.006 A 
BRANCH  19  22
ATOM     22  N   LIG    1        4.365   0.223   0.192  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        5.137   1.441   0.490  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1        6.532   1.081   1.030  0.00  0.00    +0.128 C 
ATOM     25  N   LIG    1        7.308   0.244   0.073  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1        6.489  -0.486  -0.933  0.00  0.00    +0.128 C 
ATOM     27  C   LIG    1        5.113  -0.909  -0.385  0.00  0.00    +0.122 C 
BRANCH  25  28
ATOM     28  S   LIG    1        8.728  -0.460   0.631  0.00  0.00    +0.029 S 
ATOM     29  O   LIG    1        9.422  -1.023  -0.508  0.00  0.00    -0.158 OA
ATOM     30  O   LIG    1        9.376   0.486   1.513  0.00  0.00    -0.158 OA
ATOM     31  C   LIG    1        8.137  -1.817   1.625  0.00  0.00    +0.215 C 
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH   2  16
BRANCH   1  33
ATOM     32  C   LIG    1       -2.371   1.621  -2.670  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1       -2.061   2.344  -1.440  0.00  0.00    -0.304 NA
ATOM     34  C   LIG    1       -2.829   3.587  -1.372  0.00  0.00    +0.104 C 
ENDBRANCH   1  33
TORSDOF 5