REMARK  Name = BDB045468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.699  -1.405  -0.379  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        1.513  -1.101  -1.064  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.369  -0.670  -0.378  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        0.423  -0.576   1.013  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        1.607  -0.863   1.702  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        2.748  -1.269   1.010  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        4.863  -2.530  -0.532  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1        5.589  -2.915  -1.123  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1        4.722  -2.967   0.367  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1        3.876  -1.839  -1.177  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1        3.949  -1.619  -2.380  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   3  12
ATOM     12  N   LIG    1       -0.768  -0.405  -1.162  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1       -0.718  -0.695  -2.133  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -1.971   0.188  -0.892  0.00  0.00    +0.221 C 
ATOM     15  O   LIG    1       -2.877   0.169  -1.722  0.00  0.00    -0.275 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.219   0.903   0.374  0.00  0.00    +0.090 C 
ATOM     17  C   LIG    1       -2.861   2.283   0.224  0.00  0.00    +0.110 C 
ATOM     18  C   LIG    1       -1.489   2.144   0.817  0.00  0.00    +0.029 C 
BRANCH  17  19
ATOM     19  C   LIG    1       -4.074   2.539   1.019  0.00  0.00    +0.309 C 
ATOM     20  O   LIG    1       -4.073   3.230   2.022  0.00  0.00    -0.251 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -5.161   1.910   0.520  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1       -4.957   1.400  -0.291  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  14  16
ENDBRANCH   3  12
TORSDOF 5