REMARK  Name = BDB054523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.105   1.206  -0.679  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -2.449   0.819  -0.716  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.784  -0.523  -0.492  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.829  -1.497  -0.254  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -2.289  -2.746  -0.030  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1       -1.407  -3.731   0.220  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -0.066  -3.484   0.223  0.00  0.00    +0.086 A 
ATOM      8  C   LIG    1        0.438  -2.208  -0.030  0.00  0.00    +0.081 A 
ATOM      9  N   LIG    1        1.860  -2.335   0.009  0.00  0.00    -0.283 N 
ATOM     10  C   LIG    1        2.181  -3.666   0.364  0.00  0.00    +0.328 A 
ATOM     11  O   LIG    1        3.277  -4.161   0.559  0.00  0.00    -0.247 OA
ATOM     12  N   LIG    1        0.979  -4.360   0.464  0.00  0.00    -0.305 N 
ATOM     13  H   LIG    1        0.921  -5.338   0.698  0.00  0.00    +0.170 HD
ATOM     14  C   LIG    1       -0.455  -1.138  -0.253  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -0.127   0.229  -0.453  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2  16
ATOM     16  C   LIG    1       -3.521   1.768  -0.950  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -3.710   2.479  -2.115  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1       -2.997   2.579  -3.402  0.00  0.00    +0.090 C 
ATOM     19  O   LIG    1       -4.824   3.251  -1.991  0.00  0.00    -0.359 OA
ATOM     20  N   LIG    1       -5.394   3.052  -0.748  0.00  0.00    -0.083 NA
ATOM     21  C   LIG    1       -4.607   2.164  -0.125  0.00  0.00    +0.089 A 
ATOM     22  C   LIG    1       -4.928   1.725   1.252  0.00  0.00    +0.070 C 
ENDBRANCH   2  16
BRANCH   1  24
ATOM     23  C   LIG    1        0.480   2.994  -0.592  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -0.837   2.536  -0.874  0.00  0.00    -0.494 OA
ENDBRANCH   1  24
BRANCH   9  25
ATOM     25  C   LIG    1        2.852  -1.288  -0.203  0.00  0.00    +0.138 C 
ATOM     26  C   LIG    1        4.146  -1.768  -0.878  0.00  0.00    +0.038 C 
BRANCH  25  27
ATOM     27  C   LIG    1        3.174  -0.502   1.061  0.00  0.00    +0.064 A 
ATOM     28  N   LIG    1        3.005   0.847   1.004  0.00  0.00    -0.258 NA
ATOM     29  C   LIG    1        3.302   1.563   2.113  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        3.766   1.006   3.290  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        3.942  -0.370   3.337  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        3.647  -1.136   2.212  0.00  0.00    +0.025 A 
ENDBRANCH  25  27
ENDBRANCH   9  25
TORSDOF 4