REMARK  Name = BDB049100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.748  -0.924   0.404  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -2.161  -2.259  -0.290  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -3.609  -2.004  -0.791  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -3.935  -0.622  -0.426  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -2.650   0.077  -0.340  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        2.545   0.063   0.412  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        2.077  -1.244   0.603  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        0.709  -1.559   0.595  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.264  -0.579   0.379  0.00  0.00    -0.041 A 
ATOM     10  C   LIG    1        0.190   0.734   0.212  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        1.561   1.040   0.218  0.00  0.00    +0.023 A 
BRANCH   6  16
ATOM     12  C   LIG    1        8.119   1.169   0.470  0.00  0.00    +0.403 C 
ATOM     13  N   LIG    1        6.752   1.003   0.478  0.00  0.00    -0.264 N 
ATOM     14  C   LIG    1        6.113   0.264   1.563  0.00  0.00    +0.130 C 
ATOM     15  C   LIG    1        4.865  -0.510   1.102  0.00  0.00    +0.124 C 
ATOM     16  N   LIG    1        3.898   0.365   0.414  0.00  0.00    -0.327 N 
ATOM     17  C   LIG    1        4.407   1.623  -0.156  0.00  0.00    +0.124 C 
ATOM     18  C   LIG    1        5.879   1.498  -0.587  0.00  0.00    +0.130 C 
ATOM     19  O   LIG    1        8.863   0.771   1.359  0.00  0.00    -0.226 OA
BRANCH  12  21
ATOM     20  C   LIG    1        9.967   2.014  -0.693  0.00  0.00    +0.282 C 
ATOM     21  O   LIG    1        8.553   1.823  -0.642  0.00  0.00    -0.454 OA
ENDBRANCH  12  21
ENDBRANCH   6  16
ENDBRANCH   1   9
BRANCH   2  22
ATOM     22  N   LIG    1       -1.929  -3.516   0.461  0.00  0.00    -0.304 NA
ATOM     23  C   LIG    1       -2.657  -3.601   1.726  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -2.196  -4.695  -0.364  0.00  0.00    +0.104 C 
ENDBRANCH   2  22
BRANCH   4  25
ATOM     25  C   LIG    1       -4.875  -0.003  -1.364  0.00  0.00    +0.122 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.370   1.353  -0.906  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.011   2.488  -1.645  0.00  0.00    +0.128 A 
ATOM     28  F   LIG    1       -4.241   2.361  -2.738  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -5.424   3.765  -1.278  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -6.212   3.932  -0.145  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -6.584   2.819   0.610  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.181   1.523   0.239  0.00  0.00    -0.043 A 
ATOM     33  C   LIG    1       -6.587   0.362   1.107  0.00  0.00    +0.044 C 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 6