REMARK  Name = BDB013200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.084   0.130   0.022  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        0.430  -1.107  -0.215  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.926  -1.144  -0.007  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.296  -2.437  -0.231  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.249  -3.138  -0.608  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.668  -0.027   0.392  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.062   1.105   0.630  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.843  -2.296  -0.599  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.306   1.153   0.438  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.101  -1.025   1.924  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.488  -0.173   0.749  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        2.533   0.355  -0.133  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.993   1.137  -1.201  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        4.357   1.367  -1.361  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        5.236   0.798  -0.449  0.00  0.00    +0.126 A 
ATOM     16  N   LIG    1        4.822   0.049   0.605  0.00  0.00    -0.247 NA
BRANCH  15  17
ATOM     17  C   LIG    1        6.704   1.081  -0.592  0.00  0.00    +0.264 C 
ATOM     18  N   LIG    1        7.655   0.165  -0.127  0.00  0.00    -0.302 N 
ATOM     19  C   LIG    1        9.046   0.571  -0.052  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1        7.347  -1.179   0.340  0.00  0.00    +0.132 C 
ATOM     21  O   LIG    1        7.028   2.144  -1.129  0.00  0.00    -0.268 OA
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  22
ATOM     22  N   LIG    1       -3.031  -0.114   0.565  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.328   0.704   1.095  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.889  -0.230  -0.611  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.306  -0.450  -0.173  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -6.162   0.594   0.166  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.923   2.057   0.217  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.365   2.541   0.372  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -8.164   1.470   0.922  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.454   0.340   0.610  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.952  -0.941   0.742  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.114  -2.002   0.403  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.811  -1.751  -0.045  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.027  -2.796  -0.352  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5