REMARK  Name = BDB036276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.271  -0.709  -0.795  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.790   0.234   0.160  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        0.445   0.179   0.470  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.199   1.182   1.379  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1        1.417   1.785   1.585  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -0.438  -0.764  -0.095  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.017  -1.619  -0.970  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.398   1.191   0.837  0.00  0.00    -0.224 NA
ATOM      9  C   LIG    1        1.355  -1.563  -1.301  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.558  -1.009  -3.473  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.523  -0.926  -2.417  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        5.876  -0.899  -1.129  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        4.705  -0.810  -0.458  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        4.763  -0.815   0.987  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        3.606  -0.793  -1.288  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        4.122  -0.874  -2.569  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1        1.657   2.976   2.535  0.00  0.00    +0.174 A 
ATOM     18  O   LIG    1        0.711   3.597   3.307  0.00  0.00    -0.441 OA
ATOM     19  C   LIG    1        1.407   4.570   3.956  0.00  0.00    +0.308 A 
ATOM     20  N   LIG    1        2.689   4.627   3.676  0.00  0.00    -0.224 NA
ATOM     21  C   LIG    1        2.857   3.612   2.766  0.00  0.00    +0.162 A 
ENDBRANCH   5  17
BRANCH   6  22
ATOM     22  N   LIG    1       -1.760  -0.750   0.296  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -1.973  -0.331   1.194  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.655  -1.841  -0.049  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.067  -1.448   0.276  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.762  -0.497  -0.466  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.319   0.329  -1.616  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.673   0.881  -2.059  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.592   0.832  -0.943  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.058  -0.129  -0.125  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.719  -0.677   0.955  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.046  -1.638   1.709  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.739  -2.012   1.368  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.118  -2.924   2.129  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5