REMARK  Name = BDB061165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.053   0.192  -0.189  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1        1.367   0.504  -1.387  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1        0.011   0.692  -1.301  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.398   0.945  -2.579  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.637   0.937  -3.390  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.707   0.600  -0.100  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.065   0.300   0.998  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        1.757   0.657  -2.637  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        1.305   0.102   0.928  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  12
ATOM     10  O   LIG    1        4.066  -0.339   1.893  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        4.322  -0.269   0.696  0.00  0.00    +0.248 C 
ATOM     12  N   LIG    1        3.412   0.005  -0.306  0.00  0.00    -0.277 N 
ATOM     13  H   LIG    1        3.771   0.147  -1.246  0.00  0.00    +0.155 HD
BRANCH  11  14
ATOM     14  C   LIG    1        5.732  -0.456   0.248  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        6.050  -1.018  -0.996  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        7.388  -1.173  -1.370  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        8.407  -0.778  -0.504  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.096  -0.234   0.741  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.762  -0.078   1.120  0.00  0.00    +0.013 A 
ENDBRANCH  11  14
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.068   0.819  -0.116  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.442   1.400  -0.858  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.814   0.956   1.126  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.284   0.893   0.829  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.928  -0.300   0.517  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.380  -1.671   0.367  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.691  -2.457   0.325  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.757  -1.574  -0.094  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.282  -0.325   0.210  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.055   0.819   0.194  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.433   2.027   0.508  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.066   2.055   0.819  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.498   3.238   1.091  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5