REMARK  Name = BDB034500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.429  -1.994  -1.538  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        1.355  -1.127  -1.069  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1        0.038  -1.576  -1.230  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1       -0.223  -2.718  -1.616  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.131  -0.681  -0.936  0.00  0.00    +0.128 A 
ATOM      6  N   LIG    1       -0.970   0.661  -1.092  0.00  0.00    -0.248 NA
ATOM      7  C   LIG    1       -2.059   1.443  -0.868  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1       -3.311   0.968  -0.501  0.00  0.00    +0.108 A 
ATOM      9  N   LIG    1       -4.383   1.866  -0.293  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.554   1.401   0.054  0.00  0.00    +0.143 A 
ATOM     11  C   LIG    1       -5.733  -0.013   0.211  0.00  0.00    +0.106 A 
ATOM     12  N   LIG    1       -4.694  -0.884   0.001  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -5.169  -2.147   0.218  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1       -6.441  -2.133   0.563  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1       -6.798  -0.807   0.570  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1       -3.425  -0.420  -0.365  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1       -2.343  -1.268  -0.583  0.00  0.00    +0.061 A 
BRANCH  10  18
ATOM     18  N   LIG    1       -6.558   2.306   0.236  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1       -6.333   3.213  -0.159  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -7.491   1.990   0.002  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1        1.714   0.150  -0.410  0.00  0.00    +0.166 C 
ATOM     22  C   LIG    1        3.058   0.188   0.259  0.00  0.00    +0.106 A 
ATOM     23  C   LIG    1        3.917   0.978  -0.475  0.00  0.00    +0.144 A 
ATOM     24  C   LIG    1        5.228   1.120  -0.080  0.00  0.00    +0.061 A 
ATOM     25  C   LIG    1        5.635   0.451   1.082  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1        4.688  -0.314   1.773  0.00  0.00    +0.123 A 
ATOM     27  O   LIG    1        3.363   1.545  -1.584  0.00  0.00    -0.488 OA
ATOM     28  N   LIG    1        3.397  -0.469   1.386  0.00  0.00    -0.254 NA
ATOM     29  C   LIG    1        1.938   1.303  -1.415  0.00  0.00    +0.258 C 
BRANCH  25  30
ATOM     30  C   LIG    1        7.029   0.561   1.615  0.00  0.00    +0.419 C 
ATOM     31  F   LIG    1        7.131   1.488   2.606  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        7.488  -0.606   2.147  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.941   0.921   0.670  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH   2  21
TORSDOF 4