REMARK  Name = BDB020796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.042  -0.184  -0.232  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -0.793   0.338   0.799  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -2.149   0.171   0.656  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.706   0.689   1.789  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.765   1.194   2.555  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.730  -0.456  -0.448  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.970  -0.964  -1.380  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.556   0.974   1.930  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.603  -0.818  -1.239  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.676   0.468   0.143  0.00  0.00    +0.404 C 
ATOM     11  N   LIG    1        4.335   0.142   0.007  0.00  0.00    -0.263 N 
ATOM     12  C   LIG    1        3.662  -0.785   0.912  0.00  0.00    +0.116 C 
ATOM     13  C   LIG    1        2.190  -0.419   1.104  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1        1.507  -0.107  -0.207  0.00  0.00    -0.036 C 
ATOM     15  C   LIG    1        2.245   0.242  -1.279  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1        3.741   0.355  -1.300  0.00  0.00    +0.138 C 
ATOM     17  O   LIG    1        6.318   1.047  -0.725  0.00  0.00    -0.226 OA
BRANCH  10  18
ATOM     18  O   LIG    1        6.188   0.068   1.335  0.00  0.00    -0.445 OA
BRANCH  18  20
ATOM     19  C   LIG    1        8.530  -0.400   0.728  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1        7.573   0.324   1.682  0.00  0.00    +0.107 C 
ATOM     21  C   LIG    1        7.737  -0.275   3.088  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        7.862   1.827   1.755  0.00  0.00    +0.055 C 
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  N   LIG    1       -4.098  -0.569  -0.555  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -4.294  -1.261  -1.278  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.889   0.624  -0.842  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -6.346   0.276  -0.810  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -7.020  -0.256  -1.905  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -6.525  -0.620  -3.255  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -7.864  -0.839  -3.962  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.874  -1.136  -2.971  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -8.361  -0.609  -1.815  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -9.088  -0.459  -0.651  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -8.436   0.078   0.458  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -7.084   0.435   0.372  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -6.484   0.937   1.462  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6