REMARK  Name = BDB049084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.768  -0.683  -0.004  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -2.550   0.678   0.517  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -1.014   0.908   0.527  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1       -0.475  -0.299  -0.279  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -1.486  -1.387   0.102  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.965  -0.683  -0.013  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.431  -1.020   1.261  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        2.772  -1.370   1.462  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        3.698  -1.395   0.408  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        3.218  -1.072  -0.867  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        1.878  -0.717  -1.074  0.00  0.00    +0.006 A 
BRANCH   9  12
ATOM     12  N   LIG    1        5.034  -1.732   0.682  0.00  0.00    -0.321 N 
ATOM     13  C   LIG    1        5.894  -2.198  -0.439  0.00  0.00    +0.181 C 
ATOM     14  C   LIG    1        6.689  -1.110  -1.079  0.00  0.00    +0.151 A 
ATOM     15  N   LIG    1        6.801   0.120  -0.493  0.00  0.00    -0.315 N 
ATOM     16  C   LIG    1        7.586   0.867  -1.304  0.00  0.00    +0.225 A 
ATOM     17  N   LIG    1        7.956   0.137  -2.333  0.00  0.00    -0.138 NA
ATOM     18  C   LIG    1        6.149   0.499   0.741  0.00  0.00    +0.143 C 
ATOM     19  N   LIG    1        7.389  -1.115  -2.193  0.00  0.00    -0.133 NA
ATOM     20  C   LIG    1        5.725  -0.741   1.545  0.00  0.00    +0.127 C 
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   3  21
ATOM     21  N   LIG    1       -0.504   2.247   0.160  0.00  0.00    -0.304 NA
ATOM     22  C   LIG    1       -1.027   3.280   1.055  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -0.744   2.616  -1.233  0.00  0.00    +0.104 C 
ENDBRANCH   3  21
BRANCH   1  24
ATOM     24  C   LIG    1       -3.861  -1.401   0.655  0.00  0.00    +0.122 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -5.112  -1.363  -2.102  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.812  -0.787  -0.901  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1       -5.221  -0.793   0.383  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.927  -0.212   1.446  0.00  0.00    +0.128 A 
ATOM     29  F   LIG    1       -5.394  -0.201   2.678  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.178   0.369   1.267  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -7.753   0.383   0.002  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -7.073  -0.187  -1.075  0.00  0.00    +0.004 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 5