REMARK  Name = BDB053770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.818   0.779   0.160  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.917   2.139  -0.138  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1        0.216   2.788   0.356  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.965   1.854   1.074  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        2.124   2.283   1.742  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        2.485   3.608   1.585  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.805   4.494   0.834  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        0.673   4.099   0.208  0.00  0.00    +0.137 A 
ATOM      9  C   LIG    1        0.316   0.592   0.944  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        0.712  -0.658   1.577  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        1.906  -1.236   1.156  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.338  -2.476   1.798  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.847  -2.724   1.634  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.341  -2.707   0.247  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.437  -3.662  -0.099  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.449  -1.966  -0.660  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.705  -0.794   0.005  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.020  -1.157   2.461  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.997   2.768  -0.837  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.443   4.039  -0.446  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.498   4.655  -1.124  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.116   4.008  -2.191  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.686   2.741  -2.579  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.633   2.118  -1.903  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.792  -0.065  -0.211  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -3.218  -2.052   1.222  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -2.212  -2.390   0.159  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.511  -1.377  -0.513  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1       -0.595  -1.688  -1.520  0.00  0.00    +0.085 A 
ATOM     30  C   LIG    1       -0.344  -3.020  -1.818  0.00  0.00    +0.127 A 
ATOM     31  F   LIG    1        0.553  -3.324  -2.765  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -1.003  -4.043  -1.146  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -1.940  -3.729  -0.161  0.00  0.00    +0.010 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4