REMARK  Name = BDB053444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.252  -1.151   2.669  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -0.098  -0.529   1.415  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1        0.676   0.239   0.608  0.00  0.00    +0.190 C 
ATOM      4  N   LIG    1        0.056   0.773  -0.404  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -1.245   0.324  -0.299  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1       -2.201   0.644  -1.180  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.368  -0.547   0.909  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1       -2.347  -1.123   1.339  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -3.601   0.216  -1.140  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -4.469   0.685  -0.145  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -5.781   0.262  -0.182  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -6.755   0.615   0.700  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -7.874  -0.132   0.180  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -7.563  -0.880  -1.014  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -6.242  -0.588  -1.159  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -5.419  -1.061  -2.158  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -4.082  -0.649  -2.146  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   3  18
ATOM     18  N   LIG    1        2.004   0.473   0.822  0.00  0.00    -0.317 N 
ATOM     19  H   LIG    1        2.284   1.200   0.165  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.961  -0.625   0.768  0.00  0.00    +0.104 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.344  -0.162   1.232  0.00  0.00    +0.019 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.004   0.920   0.368  0.00  0.00    +0.004 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.178   0.572  -1.115  0.00  0.00    +0.028 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.008  -0.678  -1.390  0.00  0.00    +0.156 C 
BRANCH  24  25
ATOM     25  O   LIG    1        7.328  -0.538  -0.890  0.00  0.00    -0.395 OA
ATOM     26  H   LIG    1        7.288  -0.543   0.081  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 8