REMARK  Name = BDB011677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.398  -0.598   0.235  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -3.732  -1.224   0.345  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.834  -2.627   0.362  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -5.076  -3.264   0.452  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -6.224  -2.490   0.531  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -6.155  -1.101   0.526  0.00  0.00    +0.039 A 
ATOM      7  F   LIG    1       -7.420  -3.087   0.618  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -2.598  -3.443   0.304  0.00  0.00    +0.257 A 
ATOM      9  O   LIG    1       -2.633  -4.668   0.308  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1       -1.412  -2.752   0.253  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1       -0.574  -3.322   0.257  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -4.912  -0.468   0.435  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -1.297  -1.381   0.232  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1        0.074  -0.835   0.186  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        0.530   0.060   1.157  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.832   0.577   1.103  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        2.727   0.206   0.090  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        2.251  -0.690  -0.881  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        0.951  -1.209  -0.836  0.00  0.00    +0.012 A 
BRANCH  17  20
ATOM     20  N   LIG    1        4.033   0.707  -0.015  0.00  0.00    -0.326 N 
ATOM     21  C   LIG    1        5.084  -0.341   0.038  0.00  0.00    +0.133 C 
ATOM     22  C   LIG    1        6.450   0.265  -0.330  0.00  0.00    +0.178 C 
ATOM     23  O   LIG    1        6.782   1.381   0.512  0.00  0.00    -0.377 OA
ATOM     24  C   LIG    1        5.782   2.404   0.386  0.00  0.00    +0.178 C 
ATOM     25  C   LIG    1        4.397   1.885   0.803  0.00  0.00    +0.133 C 
ENDBRANCH  17  20
ENDBRANCH  13  14
BRANCH   1  26
ATOM     26  O   LIG    1       -2.362   0.783   0.226  0.00  0.00    -0.488 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.250   1.297  -1.111  0.00  0.00    +0.244 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.039   2.815  -1.037  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.158   3.512  -0.392  0.00  0.00    -0.327 NA
ATOM     30  H   LIG    1       -3.280   3.110   0.540  0.00  0.00    +0.118 HD
ATOM     31  H   LIG    1       -4.021   3.309  -0.893  0.00  0.00    +0.118 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 6