REMARK  Name = BDB028522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.109  -0.382   0.367  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.493   0.212   1.621  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1       -1.453   0.385   1.520  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.193  -1.167   0.574  0.00  0.00    +0.138 C 
BRANCH   4  14
ATOM      5  O   LIG    1        2.652   0.314  -1.240  0.00  0.00    -0.253 OA
ATOM      6  C   LIG    1        2.929   0.439  -0.049  0.00  0.00    +0.302 C 
ATOM      7  N   LIG    1        3.916   1.296   0.410  0.00  0.00    -0.283 N 
ATOM      8  C   LIG    1        4.682   2.040  -0.591  0.00  0.00    +0.137 C 
ATOM      9  C   LIG    1        5.865   1.246  -1.149  0.00  0.00    +0.179 C 
ATOM     10  O   LIG    1        6.776   0.828  -0.121  0.00  0.00    -0.378 OA
ATOM     11  C   LIG    1        6.323  -0.338   0.565  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1        5.509  -0.023   1.816  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        4.566   1.171   1.712  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        2.297  -0.287   0.926  0.00  0.00    -0.297 N 
ATOM     15  H   LIG    1        2.129   0.232   1.777  0.00  0.00    +0.150 HD
ENDBRANCH   4  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -1.246  -1.307  -0.114  0.00  0.00    +0.117 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.554  -0.611  -0.101  0.00  0.00    -0.295 NA
ATOM     18  C   LIG    1       -3.645  -1.607  -0.183  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1       -5.022  -0.994  -0.328  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -5.181   0.316  -0.810  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -6.467   0.851  -0.966  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -7.590   0.080  -0.668  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -7.438  -1.226  -0.209  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.968   1.163  -1.097  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1       -6.160  -1.762  -0.042  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -2.684   0.332  -1.229  0.00  0.00    +0.089 C 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5