REMARK  Name = BDB003349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.491  -1.973  -0.481  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1        0.455  -1.133   0.153  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        1.839  -1.285  -0.041  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.748  -0.457   0.640  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.305   0.555   1.503  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        0.929   0.724   1.715  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        2.377  -2.335  -0.976  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        1.320  -2.739  -1.989  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.029  -0.119   1.031  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.038  -3.107  -1.256  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -3.219   0.062  -1.743  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1       -1.958  -0.329  -1.377  0.00  0.00    -0.227 NA
ATOM     13  C   LIG    1       -1.784  -1.572  -0.872  0.00  0.00    +0.132 A 
ATOM     14  C   LIG    1       -2.881  -2.407  -0.725  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -2.989  -3.749  -0.104  0.00  0.00    +0.199 C 
ATOM     16  O   LIG    1       -4.335  -4.184  -0.413  0.00  0.00    -0.370 OA
ATOM     17  C   LIG    1       -5.140  -3.041  -0.782  0.00  0.00    +0.196 C 
ATOM     18  C   LIG    1       -4.150  -1.986  -1.100  0.00  0.00    -0.011 A 
ATOM     19  C   LIG    1       -4.349  -0.730  -1.628  0.00  0.00    +0.039 A 
BRANCH  11  23
ATOM     20  C   LIG    1       -2.018   3.510  -2.743  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1       -2.146   2.155  -2.284  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1       -1.334   1.653  -1.927  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -3.334   1.457  -2.281  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1       -4.405   1.904  -2.672  0.00  0.00    -0.269 OA
ENDBRANCH  11  23
ENDBRANCH   1  13
BRANCH   5  25
ATOM     25  C   LIG    1        3.301   1.379   2.156  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        3.412   2.745   2.007  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        4.487   3.122   2.759  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        5.003   4.458   2.929  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        5.093   2.092   3.380  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        4.378   1.030   2.998  0.00  0.00    +0.142 A 
ENDBRANCH   5  25
BRANCH   6  31
ATOM     31  C   LIG    1        0.378   1.778   2.642  0.00  0.00    +0.372 C 
ATOM     32  F   LIG    1        0.357   3.016   2.073  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1       -0.911   1.535   3.025  0.00  0.00    -0.204 F 
ENDBRANCH   6  31
TORSDOF 4