REMARK  Name = BDB063122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.843  -2.877   1.637  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1        1.529  -3.303   2.496  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        3.163  -2.478   1.835  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        3.828  -1.784   0.898  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1        5.112  -1.422   1.133  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        5.745  -1.785   2.304  0.00  0.00    +0.167 A 
ATOM      7  F   LIG    1        7.005  -1.440   2.599  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1        5.006  -2.525   3.195  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1        3.726  -2.892   2.984  0.00  0.00    -0.220 NA
BRANCH   5  10
ATOM     10  C   LIG    1        5.743  -0.622   0.059  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        4.952   0.221  -0.752  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.520   0.999  -1.783  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1        6.896   0.918  -2.000  0.00  0.00    +0.039 A 
ATOM     14  S   LIG    1        7.324   1.959  -3.305  0.00  0.00    -0.075 S 
ATOM     15  C   LIG    1        5.682   2.417  -3.463  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1        7.716   0.087  -1.225  0.00  0.00    +0.018 A 
ATOM     17  N   LIG    1        4.837   1.862  -2.627  0.00  0.00    -0.247 NA
ATOM     18  C   LIG    1        7.121  -0.672  -0.207  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1       -1.223  -0.699  -0.192  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        0.015  -0.147   0.109  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        1.027  -0.823   0.703  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1        0.833  -2.117   1.025  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -0.385  -2.746   0.762  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -1.417  -2.036   0.148  0.00  0.00    +0.010 A 
BRANCH  19  25
ATOM     25  C   LIG    1       -2.290   0.112  -0.881  0.00  0.00    +0.121 C 
BRANCH  25  29
ATOM     26  N   LIG    1       -5.680   1.382   0.077  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1       -4.858   0.480   0.909  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1       -3.416   1.002   1.116  0.00  0.00    +0.100 C 
ATOM     29  N   LIG    1       -2.683   1.314  -0.130  0.00  0.00    -0.296 NA
ATOM     30  C   LIG    1       -3.534   2.201  -0.951  0.00  0.00    +0.100 C 
ATOM     31  C   LIG    1       -4.979   1.694  -1.182  0.00  0.00    +0.100 C 
BRANCH  26  33
ATOM     32  C   LIG    1       -7.993   1.782  -0.778  0.00  0.00    +0.020 C 
ATOM     33  C   LIG    1       -7.012   0.802  -0.144  0.00  0.00    +0.081 C 
ENDBRANCH  26  33
ENDBRANCH  25  29
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 6