REMARK  Name = BDB036209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.169  -1.266  -0.180  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.192  -0.186  -0.460  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.190  -0.779  -0.828  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.716  -1.706   0.200  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.287  -2.769   0.439  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.668  -2.208   0.846  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.139   0.025   0.122  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        5.598  -0.611   1.185  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        4.309  -1.020   1.060  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.495  -0.822  -0.061  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.114  -0.169  -1.136  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.440   0.263  -1.054  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.173   2.283  -0.094  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        7.870   1.702  -0.299  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        7.105   2.327  -0.515  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.565   0.469   0.264  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.392  -0.216   0.855  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.999  -2.307  -0.197  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.146  -1.326  -0.167  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.712  -0.934   1.050  0.00  0.00    +0.153 A 
ATOM     21  F   LIG    1       -3.254  -1.455   2.200  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1       -4.761  -0.015   1.092  0.00  0.00    +0.104 A 
ATOM     23  C   LIG    1       -5.273   0.534  -0.092  0.00  0.00    +0.094 A 
ATOM     24  N   LIG    1       -6.330   1.464  -0.102  0.00  0.00    -0.207 NA
ATOM     25  C   LIG    1       -6.831   1.807   1.046  0.00  0.00    +0.282 A 
ATOM     26  C   LIG    1       -6.345   1.266   2.404  0.00  0.00    +0.311 A 
ATOM     27  O   LIG    1       -6.841   1.615   3.464  0.00  0.00    -0.262 OA
ATOM     28  C   LIG    1       -4.714   0.142  -1.310  0.00  0.00    +0.030 A 
ATOM     29  N   LIG    1       -5.312   0.364   2.323  0.00  0.00    -0.314 N 
ATOM     30  H   LIG    1       -4.949  -0.024   3.185  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -3.661  -0.778  -1.352  0.00  0.00    +0.010 A 
BRANCH  25  32
ATOM     32  O   LIG    1       -7.843   2.684   1.192  0.00  0.00    -0.476 OA
ATOM     33  C   LIG    1       -8.369   3.245  -0.013  0.00  0.00    +0.279 C 
ENDBRANCH  25  32
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5