REMARK  Name = BDB046900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.554  -1.212   0.633  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1       -3.125  -1.731  -0.486  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1       -2.211  -2.560  -0.987  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -1.040  -2.627  -0.210  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -1.296  -1.760   0.830  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1       -6.711   2.651   2.731  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -6.236   1.828   1.958  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -4.905   1.229   2.174  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -4.441   0.290   1.240  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -3.168  -0.243   1.499  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1       -2.420   0.124   2.596  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1       -2.925   1.033   3.451  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1       -5.238  -0.060   0.130  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1       -6.389   0.490  -0.017  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1       -4.159   1.613   3.287  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1       -6.908   1.407   0.844  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -7.819   1.811   0.684  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        0.184  -3.441  -0.455  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.152  -2.820  -1.482  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.698  -1.496  -1.121  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1        2.374  -0.892  -2.278  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1        2.866   0.521  -1.965  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        3.789   0.513  -0.743  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1        3.092  -0.168   0.439  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        2.589  -1.559   0.046  0.00  0.00    +0.085 C 
BRANCH  23  26
ATOM     26  C   LIG    1        4.316   1.889  -0.398  0.00  0.00    -0.007 A 
ATOM     27  S   LIG    1        3.273   3.170   0.072  0.00  0.00    -0.101 S 
ATOM     28  C   LIG    1        4.577   4.258   0.258  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        5.786   3.668  -0.029  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        5.636   2.303  -0.406  0.00  0.00    +0.011 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5