REMARK  Name = BDB004542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.761   0.358   1.504  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.526  -0.251   1.195  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.461   0.591   0.816  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.239  -0.038   0.493  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.075  -1.365   0.587  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.136  -2.075   0.963  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.643   1.998   0.783  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.865   2.576   1.096  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.347  -1.589   1.257  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.923   1.756   1.451  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.896  -1.774   1.974  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.022  -2.252   1.776  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.705  -2.301   2.266  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.978  -0.415   1.910  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.034   0.147   2.182  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.860   0.748   0.092  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.576   1.362  -0.667  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.115   0.047  -0.219  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -3.284   1.061  -0.163  0.00  0.00    +0.103 C 
ATOM     20  N   LIG    1       -4.609   0.508  -0.471  0.00  0.00    -0.314 NA
ATOM     21  H   LIG    1       -5.110   0.306   0.394  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.562  -0.704  -1.291  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -3.420  -0.675  -2.300  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1       -2.054  -0.610  -1.611  0.00  0.00    +0.025 C 
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 3