REMARK  Name = BDB001083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.056  -0.549   1.798  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        2.082  -0.349   0.809  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.896  -1.091   0.836  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.693  -2.054   1.821  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1       -0.425  -2.792   1.840  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        1.653  -2.263   2.806  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.831  -1.513   2.795  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.090  -0.896  -0.237  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -1.326  -0.328   0.063  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1       -1.794  -0.013   1.427  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -2.772   1.170   1.435  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1       -3.857   0.958   0.472  0.00  0.00    -0.298 N 
ATOM     13  C   LIG    1       -5.103   0.607   0.958  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -5.287   0.469   2.173  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -3.361   0.774  -0.894  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -2.371  -0.401  -0.966  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1        0.255  -1.211  -1.374  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     18  C   LIG    1       -6.300   0.404   0.030  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1       -6.258  -0.839  -0.866  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -6.695  -0.373  -2.254  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -7.412   0.948  -2.020  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1       -6.636   1.587  -0.878  0.00  0.00    +0.013 C 
ENDBRANCH  13  18
ENDBRANCH   3   8
BRANCH   1  23
ATOM     23  C   LIG    1        4.354   0.225   1.765  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  O   LIG    1        5.416  -0.650   1.357  0.00  0.00    -0.487 OA
BRANCH  24  26
ATOM     25  C   LIG    1        6.841   0.566  -0.185  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1        5.832  -0.368   0.084  0.00  0.00    +0.133 A 
ATOM     27  C   LIG    1        5.288  -1.129  -0.954  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        5.714  -0.928  -2.267  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.698   0.019  -2.546  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.265   0.763  -1.508  0.00  0.00    +0.017 A 
BRANCH  25  34
ATOM     31  N   LIG    1        8.820   1.488   0.856  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1        9.386   0.865   0.296  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1        9.254   1.919   1.663  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1        7.457   1.368   0.898  0.00  0.00    +0.245 C 
ATOM     35  O   LIG    1        6.799   1.901   1.781  0.00  0.00    -0.270 OA
ENDBRANCH  25  34
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 6