REMARK  Name = BDB060464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.511  -1.252   1.069  0.00  0.00    -0.225 N 
ATOM      2  C   LIG    1        0.576  -1.270   0.195  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1        0.702  -2.050  -0.746  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1        1.633  -0.273   0.443  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        1.491   0.605   1.504  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.463   1.566   1.775  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        3.597   1.637   0.960  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        3.765   0.754  -0.121  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1        0.294   0.494   2.327  0.00  0.00    +0.141 A 
ATOM     10  C   LIG    1        2.770  -0.202  -0.373  0.00  0.00    +0.022 A 
ATOM     11  N   LIG    1       -0.645  -0.375   2.128  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        4.938   0.827  -0.976  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        6.178   1.297  -0.597  0.00  0.00    +0.113 A 
ATOM     14  N   LIG    1        6.990   1.175  -1.688  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        7.971   1.420  -1.773  0.00  0.00    +0.188 HD
ATOM     16  N   LIG    1        6.370   0.658  -2.759  0.00  0.00    -0.182 NA
ATOM     17  C   LIG    1        5.125   0.441  -2.326  0.00  0.00    +0.142 A 
ENDBRANCH   8  12
BRANCH   1  18
ATOM     18  C   LIG    1       -1.626  -2.166   0.842  0.00  0.00    +0.182 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -4.681  -0.189  -0.328  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -3.703  -0.764   0.489  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1       -2.685  -1.564  -0.053  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1       -2.648  -1.764  -1.438  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.621  -1.192  -2.257  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -4.637  -0.409  -1.704  0.00  0.00    +0.045 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -6.628   1.169  -0.449  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -5.613   0.560   0.338  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4