REMARK  Name = BDB045471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.219  -1.264  -0.379  0.00  0.00    +0.141 A 
ATOM      2  C   LIG    1       -0.282  -0.324   0.108  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1       -0.724   0.913   0.584  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.092   1.212   0.596  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -3.018   0.280   0.113  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -2.582  -0.955  -0.373  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.529   2.539   1.101  0.00  0.00    +0.242 C 
ATOM      8  O   LIG    1       -1.812   3.528   1.034  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -3.767   2.606   1.680  0.00  0.00    -0.325 N 
ATOM     10  H   LIG    1       -4.231   1.779   2.026  0.00  0.00    +0.145 HD
ATOM     11  H   LIG    1       -3.977   3.481   2.144  0.00  0.00    +0.145 HD
ENDBRANCH   4   7
BRANCH   2  12
ATOM     12  N   LIG    1        1.078  -0.709   0.071  0.00  0.00    -0.279 N 
ATOM     13  H   LIG    1        1.228  -1.617  -0.355  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        2.171  -0.001   0.510  0.00  0.00    +0.241 C 
ATOM     15  O   LIG    1        2.189   1.089   1.063  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.430  -0.756   0.287  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1        4.556  -0.183  -0.160  0.00  0.00    +0.096 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.674   1.211  -0.598  0.00  0.00    +0.330 C 
ATOM     19  O   LIG    1        5.635   1.927  -0.382  0.00  0.00    -0.246 OA
BRANCH  18  20
ATOM     20  O   LIG    1        3.657   1.585  -1.388  0.00  0.00    -0.478 OA
ATOM     21  H   LIG    1        3.817   2.537  -1.552  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  14  16
ENDBRANCH   2  12
BRANCH   1  23
ATOM     22  C   LIG    1       -1.587  -3.402  -1.378  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -0.683  -2.449  -0.832  0.00  0.00    -0.493 OA
ENDBRANCH   1  23
TORSDOF 6