REMARK  Name = BDB054107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.266  -1.395   1.198  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.510  -0.850  -0.041  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.450  -0.495  -0.223  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.804  -1.917   1.504  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.461  -0.852  -1.122  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        0.553   0.529  -1.797  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        1.575   0.619  -2.860  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        1.814  -0.672  -3.530  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        0.573  -1.563  -3.562  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.114  -1.936  -2.152  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1        2.826   1.210  -2.344  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.872   1.497  -3.437  0.00  0.00    +0.050 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.092   2.191  -2.880  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1        6.119   1.452  -2.281  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        7.234   2.105  -1.765  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1        8.215   1.388  -1.201  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        7.348   3.489  -1.826  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        6.328   4.234  -2.412  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        5.203   3.589  -2.935  0.00  0.00    +0.004 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  20
ATOM     20  C   LIG    1       -1.464  -1.363   2.178  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.619  -2.303   1.749  0.00  0.00    +0.018 C 
ATOM     22  C   LIG    1       -3.771  -2.268   2.774  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -4.898  -3.229   2.406  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -4.388  -4.654   2.225  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -3.253  -4.711   1.211  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -2.120  -3.753   1.572  0.00  0.00    +0.006 C 
ENDBRANCH  20  21
BRANCH  20  28
ATOM     27  C   LIG    1       -2.525   0.841   1.530  0.00  0.00    +0.230 C 
ATOM     28  N   LIG    1       -1.875   0.023   2.429  0.00  0.00    -0.302 N 
ATOM     29  H   LIG    1       -1.373   0.544   3.147  0.00  0.00    +0.150 HD
ATOM     30  O   LIG    1       -2.899   0.462   0.423  0.00  0.00    -0.274 OA
BRANCH  27  31
ATOM     31  C   LIG    1       -2.743   2.275   2.074  0.00  0.00    +0.137 C 
ATOM     32  C   LIG    1       -3.047   3.233   0.925  0.00  0.00    +0.034 C 
BRANCH  31  34
ATOM     33  C   LIG    1       -1.797   3.786   3.738  0.00  0.00    +0.101 C 
ATOM     34  N   LIG    1       -1.532   2.670   2.839  0.00  0.00    -0.309 NA
ATOM     35  H   LIG    1       -0.805   2.942   2.175  0.00  0.00    +0.122 HD
ENDBRANCH  31  34
ENDBRANCH  27  31
ENDBRANCH  20  28
ENDBRANCH   1  20
TORSDOF 9