REMARK  Name = BDB020650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.252  -0.029   0.592  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.947   0.515  -0.070  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -0.889   1.979  -0.437  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -2.036  -0.296  -0.246  0.00  0.00    +0.046 A 
ATOM      5  N   LIG    1       -1.960  -1.614   0.284  0.00  0.00    -0.301 N 
ATOM      6  C   LIG    1       -0.837  -2.112   0.943  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -1.137  -3.402   1.309  0.00  0.00    +0.138 A 
ATOM      8  N   LIG    1       -2.400  -3.732   0.914  0.00  0.00    -0.243 NA
ATOM      9  C   LIG    1       -2.867  -2.653   0.326  0.00  0.00    +0.204 A 
ATOM     10  C   LIG    1        0.294  -1.277   1.090  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        2.144   0.981  -0.461  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        1.711   0.663  -1.316  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        1.525   0.735   0.741  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        1.963   1.054   1.837  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        3.393   1.710  -0.544  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1        8.303  -0.972   1.065  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1        7.017  -0.383   0.577  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1        6.857   0.971   0.710  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        7.597   1.536   1.107  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        5.742   1.665   0.319  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1        5.699   2.889   0.408  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1        4.602   0.860  -0.251  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.794  -0.469  -0.427  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1        3.829  -1.415  -1.087  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        6.030  -1.100   0.022  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1       -3.285   0.191  -1.000  0.00  0.00    +0.101 C 
ATOM     27  C   LIG    1       -3.904  -0.782  -2.022  0.00  0.00    +0.031 C 
BRANCH  26  28
ATOM     28  N   LIG    1       -4.244   0.882  -0.124  0.00  0.00    -0.290 NA
ATOM     29  C   LIG    1       -5.210   1.750  -0.828  0.00  0.00    +0.113 C 
ATOM     30  C   LIG    1       -6.661   1.251  -0.736  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1       -7.128   1.111   0.611  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -6.080   0.823   1.547  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1       -4.903   0.067   0.908  0.00  0.00    +0.113 C 
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 5