REMARK  Name = BDB033105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.510   0.862   1.115  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1        1.227   0.471   0.779  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        1.133  -0.274   0.098  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        2.769   1.938   1.645  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        4.861   0.390   0.362  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        3.600  -0.093   0.764  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        3.376  -1.475   0.891  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        4.379  -2.398   0.555  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        5.611  -1.914   0.098  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        5.839  -0.539  -0.014  0.00  0.00    +0.024 A 
BRANCH   8  11
ATOM     11  C   LIG    1        4.138  -3.880   0.711  0.00  0.00    +0.417 C 
ATOM     12  F   LIG    1        2.852  -4.232   0.431  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        4.378  -4.312   1.978  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        4.918  -4.641  -0.104  0.00  0.00    -0.166 F 
ENDBRANCH   8  11
BRANCH   5  15
ATOM     15  N   LIG    1        5.097   1.754   0.105  0.00  0.00    -0.357 N 
ATOM     16  H   LIG    1        6.067   2.034   0.204  0.00  0.00    +0.142 HD
ATOM     17  H   LIG    1        4.478   2.353   0.665  0.00  0.00    +0.142 HD
ENDBRANCH   5  15
ENDBRANCH   1   6
BRANCH   2  18
ATOM     18  C   LIG    1        0.116   1.396   0.936  0.00  0.00    +0.099 C 
ATOM     19  C   LIG    1       -1.253   0.725   0.880  0.00  0.00    +0.130 C 
ATOM     20  N   LIG    1       -2.123   1.768   0.403  0.00  0.00    -0.295 N 
ATOM     21  C   LIG    1       -1.421   2.765  -0.258  0.00  0.00    +0.218 C 
ATOM     22  O   LIG    1       -1.903   3.711  -0.860  0.00  0.00    -0.276 OA
ATOM     23  C   LIG    1        0.050   2.447  -0.173  0.00  0.00    +0.119 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -3.566   1.626   0.345  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.011   0.684  -0.758  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -4.505  -0.617  -0.507  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -4.882  -1.428  -1.597  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -4.775  -0.967  -2.908  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.293   0.312  -3.155  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.915   1.130  -2.091  0.00  0.00    +0.006 A 
BRANCH  26  31
ATOM     31  C   LIG    1       -4.650  -1.164   0.896  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1       -5.134  -2.437   0.943  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -3.463  -1.202   1.564  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -5.491  -0.421   1.666  0.00  0.00    -0.166 F 
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH   2  18
TORSDOF 7