REMARK  Name = BDB042716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.296   1.239   0.233  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.255   1.081   1.263  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.785   2.222   1.163  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        1.427   2.337  -0.155  0.00  0.00    -0.299 NA
ATOM      5  C   LIG    1        0.714   1.631  -1.223  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.827   1.725  -1.086  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.910   2.199  -0.784  0.00  0.00    +0.067 C 
ATOM      8  C   LIG    1       -3.673   0.806  -0.268  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -2.414   0.404   0.238  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -2.357  -0.894   0.769  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -3.471  -1.733   0.761  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.644  -1.248   0.216  0.00  0.00    +0.126 A 
ATOM     13  N   LIG    1       -4.773   0.002  -0.301  0.00  0.00    -0.245 NA
BRANCH  12  14
ATOM     14  C   LIG    1       -5.869  -2.110   0.181  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1       -6.966  -1.492  -0.388  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1       -6.821  -0.535  -0.703  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -5.862  -3.253   0.625  0.00  0.00    -0.269 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -8.247  -2.102  -0.493  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1       -9.390  -1.621   0.356  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       -9.398  -1.366  -1.123  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH  12  14
ENDBRANCH   1   9
BRANCH   4  21
ATOM     21  C   LIG    1        2.887   2.269  -0.178  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.602   1.016   0.402  0.00  0.00    +0.034 C 
ATOM     23  C   LIG    1        3.358  -0.248  -0.447  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1        4.444  -1.278  -0.373  0.00  0.00    +0.128 C 
ATOM     25  F   LIG    1        4.136  -2.540  -0.757  0.00  0.00    -0.208 F 
ATOM     26  C   LIG    1        5.697  -1.000   0.033  0.00  0.00    +0.118 A 
ATOM     27  C   LIG    1        6.031   0.365   0.437  0.00  0.00    +0.066 A 
ATOM     28  N   LIG    1        7.341   0.674   0.676  0.00  0.00    -0.320 N 
ATOM     29  H   LIG    1        7.616   1.612   0.933  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1        8.348  -0.249   0.608  0.00  0.00    +0.270 A 
ATOM     31  C   LIG    1        7.895  -1.664   0.293  0.00  0.00    +0.103 A 
ATOM     32  C   LIG    1        8.961  -2.721   0.292  0.00  0.00    +0.071 C 
ATOM     33  O   LIG    1        9.525   0.012   0.801  0.00  0.00    -0.266 OA
ATOM     34  N   LIG    1        6.661  -1.982   0.040  0.00  0.00    -0.242 NA
ATOM     35  C   LIG    1        5.081   1.299   0.605  0.00  0.00    +0.006 C 
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 5