REMARK  Name = BDB039293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.160   0.596  -0.976  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        1.028   0.740  -1.840  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.223  -0.184  -1.503  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.640  -0.039  -0.097  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        1.650   0.563   0.816  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.218   0.162   0.388  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.974  -0.173   0.275  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        4.567   0.448   1.397  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1        3.830   1.281   2.152  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1        5.856   0.320   1.788  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1        6.636  -0.483   1.036  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1        6.178  -1.157  -0.087  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.842  -0.997  -0.458  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.060  -0.630   1.476  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        9.006  -0.610   0.461  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.732  -0.238  -0.439  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       10.410  -0.602   0.787  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.350  -0.749   2.661  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.173  -0.281  -1.578  0.00  0.00    +0.122 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -7.137   0.922   0.674  0.00  0.00    +0.259 C 
ATOM     21  C   LIG    1       -6.668   2.159  -0.113  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1       -7.364   3.159  -0.271  0.00  0.00    -0.271 OA
ATOM     23  N   LIG    1       -5.440   2.049  -0.700  0.00  0.00    -0.277 N 
ATOM     24  H   LIG    1       -5.119   2.812  -1.283  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1       -4.609   0.953  -0.466  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1       -4.991  -0.036   0.436  0.00  0.00    +0.146 A 
ATOM     27  C   LIG    1       -4.138  -1.110   0.689  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -2.906  -1.201   0.032  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -2.510  -0.211  -0.880  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.376   0.864  -1.115  0.00  0.00    +0.152 A 
ATOM     31  F   LIG    1       -3.028   1.823  -1.988  0.00  0.00    -0.203 F 
ATOM     32  O   LIG    1       -6.161  -0.008   1.141  0.00  0.00    -0.478 OA
BRANCH  20  34
ATOM     33  C   LIG    1       -8.879  -0.933   0.610  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1       -8.178   0.170  -0.172  0.00  0.00    +0.051 C 
ENDBRANCH  20  34
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5