REMARK  Name = BDB021161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.752  -0.506   0.689  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -0.382  -0.333   0.576  0.00  0.00    +0.091 A 
ATOM      3  C   LIG    1        0.459   0.865   0.701  0.00  0.00    +0.258 C 
ATOM      4  N   LIG    1        1.754   0.462   0.500  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        1.828  -0.873   0.231  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        2.808  -1.552  -0.003  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        0.062   1.994   0.918  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        0.465  -1.390   0.289  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        0.007  -2.679   0.106  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.368  -2.883   0.220  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -2.239  -1.809   0.508  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        2.887   1.377   0.536  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        3.902   0.890   1.570  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        3.604   0.675   2.744  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        5.176   0.646   1.119  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        5.823   0.309   1.819  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        5.566   0.411  -0.174  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        6.678  -0.051  -0.419  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        4.557   0.691  -1.260  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        3.504   1.693  -0.824  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  O   LIG    1       -2.497   0.599   0.960  0.00  0.00    -0.480 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.909   0.486   1.045  0.00  0.00    +0.349 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.644   0.352  -0.286  0.00  0.00    +0.345 C 
ATOM     24  O   LIG    1       -4.122   0.267  -1.389  0.00  0.00    -0.247 OA
BRANCH  23  26
ATOM     25  C   LIG    1       -6.778   0.204  -1.245  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1       -5.991   0.319  -0.058  0.00  0.00    -0.466 OA
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5