REMARK  Name = BDB003287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.167   1.452  -0.767  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.157   0.947  -0.739  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.270   1.761  -0.471  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.565   1.216  -0.503  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.777  -0.144  -0.773  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.674  -0.981  -1.004  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.101   3.222  -0.154  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.316   3.516   0.311  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.383  -0.416  -0.998  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.298   2.918  -0.685  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.034  -0.296   1.784  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        2.013   0.303   1.131  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        2.248   0.801  -0.106  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1        3.516   0.702  -0.741  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        4.564   0.092  -0.018  0.00  0.00    -0.012 A 
ATOM     16  C   LIG    1        5.842  -0.018  -0.592  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        6.091   0.454  -1.881  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.066   1.037  -2.614  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        3.793   1.157  -2.054  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.315  -0.402   1.262  0.00  0.00    +0.041 A 
BRANCH  11  23
ATOM     21  C   LIG    1        1.231  -1.480   4.958  0.00  0.00    +0.132 C 
ATOM     22  N   LIG    1        1.505  -1.238   3.554  0.00  0.00    -0.302 N 
ATOM     23  C   LIG    1        2.780  -0.802   3.175  0.00  0.00    +0.265 C 
ATOM     24  O   LIG    1        3.734  -0.814   3.958  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1        0.389  -1.420   2.637  0.00  0.00    +0.132 C 
ENDBRANCH  11  23
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1       -4.140  -0.632  -0.784  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -4.757  -1.222  -1.866  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -6.032  -1.503  -1.468  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -7.069  -2.128  -2.253  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -6.292  -1.130  -0.201  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.144  -0.584   0.208  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -1.820  -2.457  -1.270  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -2.152  -2.725  -2.565  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -0.671  -3.159  -1.040  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4