REMARK  Name = BDB016455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.119  -0.522  -0.410  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -3.687  -1.728  -0.288  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -2.806  -2.689   0.019  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1       -1.440  -2.537   0.187  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -0.829  -3.793   0.526  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1       -1.738  -4.827   0.588  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -0.934  -1.235   0.009  0.00  0.00    +0.131 A 
ATOM      8  S   LIG    1       -3.327  -4.297   0.245  0.00  0.00    -0.077 S 
ATOM      9  N   LIG    1       -1.803  -0.246  -0.292  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -5.185   0.939  -0.063  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1       -3.998   0.606  -0.769  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.643   1.393  -1.889  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.437   2.452  -2.327  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.613   2.750  -1.655  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.984   2.002  -0.538  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.963   1.123   2.359  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.622   0.185   1.193  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -6.800  -0.743   0.887  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  N   LIG    1        0.423  -0.950   0.147  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        1.020  -1.747  -0.040  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.874   0.291  -0.458  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.378   0.375  -0.331  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.968   0.686   0.900  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.359   0.746   1.028  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.199   0.492  -0.068  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        4.598   0.174  -1.297  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.207   0.112  -1.428  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.664   0.555   0.067  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1        7.437   1.354  -0.792  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        8.827   1.415  -0.665  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        9.470   0.675   0.324  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.723  -0.124   1.186  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.332  -0.182   1.058  0.00  0.00    +0.008 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6