REMARK  Name = BDB057591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.098  -0.308   1.144  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.456  -0.544   1.213  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -1.810  -0.143   2.536  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -3.114  -0.281   3.235  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1       -0.773   0.397   3.193  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        0.249   0.274   2.327  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        1.178   0.580   2.589  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -2.244  -1.142   0.157  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -3.495  -0.633  -0.103  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1       -3.909  -1.124  -0.887  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -1.820  -2.064  -0.537  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.793   0.785  -0.062  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.226   1.037  -0.447  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -5.551   1.521  -1.722  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -6.883   1.736  -2.079  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.903   1.464  -1.168  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.593   0.974   0.099  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.261   0.759   0.458  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  19
ATOM     19  N   LIG    1        0.823  -0.551   0.184  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1        0.531  -1.131  -0.609  0.00  0.00    +0.176 HD
BRANCH  19  22
ATOM     21  C   LIG    1        2.913  -0.635  -0.608  0.00  0.00    +0.138 C 
ATOM     22  N   LIG    1        2.136  -0.240   0.351  0.00  0.00    -0.189 NA
BRANCH  21  26
ATOM     23  C   LIG    1        7.132   0.071  -0.613  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        6.345   0.531   0.447  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.966   0.308   0.463  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        4.367  -0.382  -0.592  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1        5.145  -0.846  -1.657  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        6.526  -0.619  -1.666  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1        9.312  -0.095  -1.548  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        8.464   0.358  -0.501  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  21  26
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 7