REMARK  Name = BDB028301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.275  -1.690   0.004  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.438  -0.396   0.521  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.644   0.292   0.336  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.685  -0.320  -0.356  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.950   0.409  -0.542  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.005   1.670  -0.003  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.871   2.188  -0.121  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.007   2.298   0.675  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -5.893  -0.093  -1.144  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -3.536  -1.614  -0.868  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.880   1.666   0.847  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -2.332  -2.297  -0.685  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1        3.106  -0.644  -0.845  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1        1.772  -0.771  -0.709  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1        1.229  -1.955  -0.122  0.00  0.00    +0.078 A 
ATOM     16  N   LIG    1        2.128  -2.972   0.231  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        1.474  -4.045   0.744  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1        0.186  -3.706   0.711  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1        3.506  -2.841   0.050  0.00  0.00    +0.116 A 
ATOM     20  C   LIG    1       -0.034  -2.412   0.199  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        4.016  -1.716  -0.476  0.00  0.00    +0.065 A 
BRANCH  13  22
ATOM     22  O   LIG    1        3.677   0.457  -1.442  0.00  0.00    -0.492 OA
BRANCH  22  24
ATOM     23  C   LIG    1        4.699   2.600  -1.194  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1        4.140   1.394  -0.463  0.00  0.00    +0.225 C 
ENDBRANCH  22  24
ENDBRANCH  13  22
ENDBRANCH   1  20
BRANCH  11  25
ATOM     25  C   LIG    1       -1.747   2.365   1.606  0.00  0.00    +0.136 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.139   3.720   2.011  0.00  0.00    -0.325 NA
ATOM     27  H   LIG    1       -3.003   3.640   2.555  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1       -2.446   4.216   1.171  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
ENDBRANCH  11  25
TORSDOF 5