REMARK  Name = BDB045481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.212  -1.186  -0.792  0.00  0.00    -0.210 N 
ATOM      2  C   LIG    1       -2.942  -0.018  -0.581  0.00  0.00    +0.319 C 
ATOM      3  O   LIG    1       -4.088   0.091  -1.042  0.00  0.00    -0.251 OA
ATOM      4  N   LIG    1       -2.398   1.009   0.189  0.00  0.00    -0.210 N 
ATOM      5  C   LIG    1       -1.133   0.932   0.764  0.00  0.00    +0.260 C 
ATOM      6  O   LIG    1       -0.745   1.775   1.573  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -0.320  -0.222   0.373  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        0.975  -0.160   0.482  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1       -0.936  -1.383  -0.272  0.00  0.00    +0.260 C 
ATOM     10  O   LIG    1       -0.384  -2.482  -0.330  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.396  -0.027   0.453  0.00  0.00    -0.013 A 
ATOM     12  C   LIG    1        3.004   0.529  -0.674  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1        4.405   0.714  -0.822  0.00  0.00    +0.226 A 
ATOM     14  O   LIG    1        4.817   1.241  -1.923  0.00  0.00    -0.284 OA
ATOM     15  C   LIG    1        5.236   0.283   0.300  0.00  0.00    +0.225 A 
ATOM     16  O   LIG    1        6.521   0.362   0.367  0.00  0.00    -0.284 OA
ATOM     17  C   LIG    1        4.557  -0.276   1.421  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        3.174  -0.434   1.512  0.00  0.00    +0.012 A 
ENDBRANCH   8  11
BRANCH   1  19
ATOM     19  C   LIG    1       -2.796  -2.220  -1.491  0.00  0.00    +0.103 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.567  -3.221  -3.711  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -3.396  -3.297  -2.184  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -4.251  -4.309  -1.396  0.00  0.00    +0.002 C 
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   4  23
ATOM     23  C   LIG    1       -3.165   2.123   0.452  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.953   3.259   0.748  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1       -4.207   4.317  -0.340  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -4.891   3.220   1.971  0.00  0.00    +0.002 C 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5