REMARK  Name = BDB020827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.087  -0.003   0.014  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.544  -1.268  -0.355  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.797  -1.468  -0.133  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.042  -2.758  -0.498  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.057  -3.303  -0.971  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.636  -0.488   0.406  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.139   0.662   0.773  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.060  -2.361  -0.883  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.213   0.868   0.572  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  O   LIG    1        6.941   1.962  -1.565  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        6.661   1.162  -0.669  0.00  0.00    +0.284 C 
ATOM     12  N   LIG    1        5.315   0.921  -0.342  0.00  0.00    -0.291 N 
ATOM     13  C   LIG    1        4.852  -0.032   0.667  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1        3.515  -0.680   0.304  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1        2.503   0.344  -0.134  0.00  0.00    -0.036 C 
ATOM     16  C   LIG    1        2.926   1.509  -0.657  0.00  0.00    -0.004 C 
ATOM     17  C   LIG    1        4.360   1.898  -0.856  0.00  0.00    +0.135 C 
BRANCH  11  18
ATOM     18  C   LIG    1        7.705   0.484   0.066  0.00  0.00    +0.209 A 
ATOM     19  O   LIG    1        8.826   0.062  -0.613  0.00  0.00    -0.438 OA
ATOM     20  C   LIG    1        9.614  -0.488   0.349  0.00  0.00    +0.308 A 
ATOM     21  N   LIG    1        9.122  -0.447   1.566  0.00  0.00    -0.224 NA
ATOM     22  C   LIG    1        7.918   0.189   1.397  0.00  0.00    +0.165 A 
ENDBRANCH  11  18
ENDBRANCH   1  15
BRANCH   6  23
ATOM     23  N   LIG    1       -2.981  -0.723   0.580  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.338   0.009   1.194  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.846  -0.800  -0.597  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.284  -0.795  -0.168  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.966   0.374   0.156  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.498   1.782   0.198  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.846   2.491   0.339  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.806   1.566   0.897  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.285   0.334   0.596  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.981  -0.850   0.735  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.319  -2.034   0.408  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.990  -1.999  -0.034  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.382  -3.159  -0.325  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5