REMARK  Name = BDB029506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.617   2.075   0.502  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.587   1.408   0.479  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -4.581   0.106   0.907  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.508  -0.251   1.107  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.699  -0.852   0.471  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -4.052  -2.022   0.367  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.299  -0.357   0.156  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -1.462  -1.420  -0.566  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.088  -1.128  -0.186  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        0.957  -1.863  -0.724  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1        0.766  -2.767  -1.532  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -0.035  -0.286   1.000  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -1.487  -0.168   1.452  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.418   0.923  -0.686  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -3.269   1.976   0.011  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        2.294  -1.548  -0.269  0.00  0.00    +0.082 A 
ATOM     17  C   LIG    1        2.978  -0.349  -0.343  0.00  0.00    +0.079 A 
ATOM     18  N   LIG    1        4.241  -0.568   0.221  0.00  0.00    -0.239 N 
ATOM     19  C   LIG    1        5.189   0.451   0.330  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        4.913   1.682  -0.130  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.625   1.923  -0.755  0.00  0.00    +0.004 A 
ATOM     22  N   LIG    1        4.381  -1.857   0.620  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1        2.700   0.951  -0.862  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        3.232  -2.442   0.282  0.00  0.00    +0.148 A 
ENDBRANCH  10  16
TORSDOF 1