REMARK  Name = BDB049276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.162  -0.452  -0.253  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.960  -1.629  -0.226  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.323  -1.464  -0.257  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.844  -2.726  -0.251  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.874  -3.610  -0.188  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.951  -0.212  -0.293  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.213   0.866  -0.312  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.682  -2.917  -0.174  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.840   0.718  -0.284  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.148  -0.433  -0.117  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.464   0.367  -1.041  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -2.067   0.365  -1.091  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.319  -0.434  -0.212  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -2.008  -1.245   0.701  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.406  -1.244   0.750  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.663  -0.445  -0.080  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -5.988   1.377   1.492  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -6.255   0.888   0.137  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -7.699   0.836  -0.096  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        4.326  -0.153  -0.309  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1        4.852  -0.935   0.067  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.028   1.106  -0.112  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.511   0.954  -0.126  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1        7.023  -0.082   0.605  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1        8.372  -0.041   0.458  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1        8.736   1.002  -0.360  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        7.534   1.647  -0.740  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6