REMARK  Name = BDB029499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.923   2.024   2.425  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.277   1.437   1.563  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.115   0.076   1.603  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.676  -0.373   2.317  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.874  -0.713   0.505  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -3.320  -1.855   0.454  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.048  -0.070  -0.607  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.563  -0.063  -0.208  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        0.019  -1.238  -0.847  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        1.234  -1.829  -0.551  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        1.573  -2.933  -0.965  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -0.956  -1.940  -1.659  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -2.055  -0.915  -1.893  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.617   1.332  -0.850  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -2.596   2.162   0.427  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        2.157  -1.101   0.332  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        2.761   0.099  -0.082  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        3.617   0.753   0.799  0.00  0.00    +0.066 A 
ATOM     19  N   LIG    1        4.038   1.873   0.130  0.00  0.00    -0.277 N 
ATOM     20  H   LIG    1        4.678   2.587   0.459  0.00  0.00    +0.189 HD
ATOM     21  N   LIG    1        3.517   2.002  -1.103  0.00  0.00    -0.181 NA
ATOM     22  C   LIG    1        3.918   0.261   2.075  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        3.327  -0.951   2.453  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        2.767   0.906  -1.241  0.00  0.00    +0.143 A 
ATOM     25  C   LIG    1        2.462  -1.631   1.595  0.00  0.00    +0.014 A 
ENDBRANCH  10  16
TORSDOF 1