REMARK  Name = BDB020169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.953  -2.567  -0.804  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.112  -2.425   0.307  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.162  -1.266   1.083  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        1.084  -0.258   0.792  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.904  -0.353  -0.340  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        1.839  -1.520  -1.120  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        2.250  -5.125   0.049  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        1.508  -4.990  -1.254  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1        0.896  -3.774  -1.640  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1        0.206  -3.719  -2.867  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        0.114  -4.840  -3.692  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        0.710  -6.027  -3.296  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1        0.619  -7.107  -4.083  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        1.399  -6.113  -2.092  0.00  0.00    +0.042 A 
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -0.754  -1.134   2.236  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1       -1.494   0.015   2.384  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -2.135  -0.055   3.165  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1       -0.852  -2.053   3.041  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -1.902   0.893   1.301  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.725   2.042   1.823  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -4.126   1.955   1.861  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -4.884   3.020   2.349  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -4.244   4.165   2.807  0.00  0.00    +0.123 A 
ATOM     24  F   LIG    1       -4.975   5.188   3.268  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -2.858   4.265   2.792  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -2.096   3.202   2.304  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  27
ATOM     27  C   LIG    1        2.860   0.762  -0.714  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  N   LIG    1        2.298   2.078  -0.475  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1        1.177   2.618  -1.120  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1        0.388   2.086  -1.984  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1        0.696   1.132  -2.176  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1        1.069   3.908  -0.594  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1       -0.005   4.809  -0.930  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1        2.071   4.128   0.337  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1        2.825   3.023   0.403  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6