REMARK  Name = BDB028174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.394   0.237  -0.553  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.604   0.688   0.002  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.771   0.739  -0.774  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.732   0.323  -2.101  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.967   0.346  -2.901  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.098   0.779  -2.253  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.961   0.799  -2.788  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.169   1.213  -0.966  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.975  -0.007  -4.075  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.535  -0.124  -2.669  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.079   1.214  -0.253  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.371  -0.162  -1.897  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  N   LIG    1        2.774  -0.388   1.063  0.00  0.00    -0.271 N 
ATOM     14  N   LIG    1        2.384   0.609   1.877  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        1.190   0.959   1.392  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1        0.809   0.195   0.263  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        1.865  -0.675   0.083  0.00  0.00    +0.116 A 
BRANCH  13  18
ATOM     18  C   LIG    1        4.048  -1.046   1.286  0.00  0.00    +0.143 C 
BRANCH  18  20
ATOM     19  C   LIG    1        6.529  -0.994   0.874  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        5.203  -0.289   0.639  0.00  0.00    +0.020 C 
ENDBRANCH  18  20
ENDBRANCH  13  18
ENDBRANCH   1  16
BRANCH  11  21
ATOM     21  C   LIG    1       -4.187   1.728   1.180  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.223   0.589   2.099  0.00  0.00    -0.325 NA
ATOM     23  H   LIG    1       -5.033   0.012   1.859  0.00  0.00    +0.119 HD
ATOM     24  H   LIG    1       -4.407   0.932   3.042  0.00  0.00    +0.119 HD
ENDBRANCH  21  22
ENDBRANCH  11  21
TORSDOF 5