REMARK  Name = BDB018816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.909  -0.504  -0.093  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -0.565  -0.154  -0.087  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.518  -1.044   0.076  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.735  -0.353   0.027  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        2.949  -1.021   0.198  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.909  -2.405   0.426  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        1.691  -3.096   0.462  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.505   1.112  -0.171  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1        0.485  -2.414   0.284  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.020   1.200  -0.269  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -2.321  -1.660   0.038  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        4.237  -0.337   0.162  0.00  0.00    +0.093 A 
ATOM     13  N   LIG    1        5.163  -0.542   1.113  0.00  0.00    -0.174 NA
ATOM     14  N   LIG    1        6.197   0.229   0.750  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        7.024   0.230   1.340  0.00  0.00    +0.188 HD
ATOM     16  C   LIG    1        5.984   0.919  -0.404  0.00  0.00    +0.105 A 
ATOM     17  C   LIG    1        4.723   0.569  -0.818  0.00  0.00    +0.049 A 
ENDBRANCH   5  12
BRANCH   1  19
ATOM     18  N   LIG    1       -4.208   0.273  -0.855  0.00  0.00    -0.258 N 
ATOM     19  C   LIG    1       -2.912   0.657  -0.202  0.00  0.00    +0.170 C 
ATOM     20  C   LIG    1       -3.300   1.127   1.207  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1       -4.783   1.434   1.108  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -5.288   0.370   0.150  0.00  0.00    +0.117 C 
BRANCH  18  24
ATOM     23  N   LIG    1       -4.392  -0.923  -3.038  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -4.305  -0.389  -2.015  0.00  0.00    +0.170 C 
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 3