REMARK  Name = BDB018459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.722   1.436   0.072  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -2.967   0.952  -0.562  0.00  0.00    -0.002 A 
ATOM      3  C   LIG    1       -3.849   1.853  -1.041  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -3.605   3.313  -0.964  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -4.450   4.083  -1.408  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -2.404   3.691  -0.382  0.00  0.00    -0.318 N 
ATOM      7  C   LIG    1       -2.088   5.106  -0.260  0.00  0.00    +0.152 C 
ATOM      8  C   LIG    1       -1.508   2.766   0.122  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -3.315  -0.467  -0.734  0.00  0.00    -0.001 A 
ATOM     10  C   LIG    1       -2.626  -1.221  -1.615  0.00  0.00    +0.094 A 
ATOM     11  N   LIG    1       -2.926  -2.547  -1.808  0.00  0.00    -0.329 N 
ATOM     12  H   LIG    1       -2.395  -3.099  -2.472  0.00  0.00    +0.168 HD
ATOM     13  C   LIG    1       -3.926  -3.216  -1.148  0.00  0.00    +0.249 A 
ATOM     14  O   LIG    1       -4.181  -4.398  -1.344  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -4.697  -2.410  -0.171  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1       -4.395  -1.116   0.007  0.00  0.00    +0.015 A 
ENDBRANCH   2   9
BRANCH   1  20
ATOM     17  N   LIG    1        1.132  -0.524   1.129  0.00  0.00    -0.238 N 
ATOM     18  N   LIG    1        0.178  -1.123   1.874  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1       -0.958  -0.495   1.573  0.00  0.00    +0.143 A 
ATOM     20  C   LIG    1       -0.765   0.530   0.636  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        0.587   0.497   0.370  0.00  0.00    +0.123 A 
BRANCH  17  24
ATOM     22  C   LIG    1        4.776  -0.741   0.298  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        3.430  -0.355   0.308  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1        2.493  -0.957   1.175  0.00  0.00    +0.086 A 
ATOM     25  C   LIG    1        2.936  -1.969   2.050  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1        4.293  -2.347   2.028  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        5.205  -1.741   1.161  0.00  0.00    +0.047 A 
BRANCH  22  29
ATOM     28  C   LIG    1        6.930  -0.420  -0.660  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        5.553  -0.064  -0.599  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
BRANCH  25  30
ATOM     30  C   LIG    1        2.114  -2.663   3.009  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1        1.555  -3.276   3.822  0.00  0.00    -0.191 NA
ENDBRANCH  25  30
ENDBRANCH  17  24
ENDBRANCH   1  20
TORSDOF 5