REMARK  Name = BDB027561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.140  -0.822  -2.872  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.124  -0.930  -2.326  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.530  -0.605  -0.965  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.047  -0.351  -1.050  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -2.448  -1.265  -2.213  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.283  -1.114  -3.178  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.358  -0.865  -4.079  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.488  -0.240  -0.260  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        3.647  -1.351  -0.094  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.550  -1.550  -0.938  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.284  -0.630  -1.953  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.129   0.463  -2.146  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.223   0.660  -1.295  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.507   0.905   0.693  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1        5.570  -0.116   0.636  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        5.667  -0.855   1.320  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.544   1.901  -0.019  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1        8.577   1.750   1.876  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.529   0.654   1.791  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.716  -0.711   0.192  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -2.203  -0.510   1.045  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.970  -0.150   0.385  0.00  0.00    +0.217 A 
ATOM     23  N   LIG    1       -4.285   0.118   1.657  0.00  0.00    -0.197 NA
ATOM     24  C   LIG    1       -5.500   0.649   1.872  0.00  0.00    +0.146 A 
ATOM     25  C   LIG    1       -6.414   0.935   0.876  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -7.713   1.512   1.201  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1       -8.009   1.764   2.484  0.00  0.00    +0.071 A 
ATOM     28  C   LIG    1       -7.041   1.465   3.571  0.00  0.00    +0.250 A 
ATOM     29  O   LIG    1       -7.325   1.700   4.740  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1       -5.987   0.632  -0.392  0.00  0.00    +0.126 A 
ATOM     31  N   LIG    1       -5.845   0.926   3.194  0.00  0.00    -0.307 N 
ATOM     32  H   LIG    1       -5.169   0.708   3.911  0.00  0.00    +0.170 HD
ATOM     33  N   LIG    1       -4.777   0.098  -0.657  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5