REMARK  Name = BDB000199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.951  -1.024  -2.173  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        0.659  -1.468  -1.446  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1       -0.469  -1.154  -1.828  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.862  -2.031  -0.207  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1        2.034  -2.789   0.165  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        1.905  -2.904   1.680  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1        0.388  -3.040   1.869  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1        3.313  -2.154  -0.346  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1       -0.196  -2.124   0.787  0.00  0.00    +0.162 C 
ATOM     10  C   LIG    1        3.162  -1.909  -1.852  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        1.565   1.414  -2.341  0.00  0.00    +0.230 C 
ATOM     12  N   LIG    1        2.200   0.346  -1.741  0.00  0.00    -0.303 N 
ATOM     13  H   LIG    1        2.354   0.516  -0.747  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        1.084   1.381  -3.469  0.00  0.00    -0.274 OA
BRANCH  11  16
ATOM     15  C   LIG    1        2.616   3.658  -1.972  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        1.562   2.684  -1.465  0.00  0.00    +0.135 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.847   2.342  -0.048  0.00  0.00    -0.320 NA
ATOM     18  H   LIG    1        1.083   1.749   0.315  0.00  0.00    +0.119 HD
ATOM     19  H   LIG    1        1.793   3.195   0.509  0.00  0.00    +0.119 HD
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   1  12
BRANCH   9  20
ATOM     20  C   LIG    1       -0.520  -0.723   1.356  0.00  0.00    +0.234 C 
ATOM     21  N   LIG    1       -1.719  -0.666   2.040  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.384  -1.415   1.896  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1        0.234   0.244   1.248  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.272   0.599   2.476  0.00  0.00    +0.139 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.378   1.051   1.556  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -3.114   1.337   0.207  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.139   1.750  -0.645  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.437   1.886  -0.160  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.713   1.610   1.178  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.689   1.194   2.032  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   9  20
TORSDOF 6