REMARK  Name = BDB063541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.002  -1.123  -0.034  0.00  0.00    -0.308 N 
ATOM      2  H   LIG    1        1.088  -0.183  -0.422  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.257  -1.593   0.243  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -0.471  -2.760   0.563  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.362  -0.596   0.125  0.00  0.00    +0.101 A 
ATOM      6  C   LIG    1       -1.165   0.812  -0.373  0.00  0.00    +0.261 A 
ATOM      7  O   LIG    1       -0.065   1.232  -0.728  0.00  0.00    -0.267 OA
ATOM      8  N   LIG    1       -2.286   1.617  -0.420  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -2.153   2.562  -0.756  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.518   1.176  -0.045  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -4.766   1.978  -0.076  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -5.725   1.088   0.730  0.00  0.00    +0.011 C 
ATOM     13  C   LIG    1       -5.128  -0.329   0.736  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -3.704  -0.069   0.393  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1       -2.605  -0.986   0.482  0.00  0.00    +0.023 A 
ENDBRANCH   3   5
BRANCH   1  16
ATOM     16  C   LIG    1        2.130  -2.011  -0.107  0.00  0.00    +0.132 C 
BRANCH  16  18
ATOM     17  C   LIG    1        4.225  -1.076  -1.103  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1        3.371  -1.183  -0.072  0.00  0.00    -0.001 C 
BRANCH  17  19
ATOM     19  C   LIG    1        5.465  -0.271  -1.097  0.00  0.00    +0.331 C 
ATOM     20  O   LIG    1        6.204  -0.214  -2.069  0.00  0.00    -0.246 OA
BRANCH  19  22
ATOM     21  C   LIG    1        6.837   1.153   0.140  0.00  0.00    +0.280 C 
ATOM     22  O   LIG    1        5.652   0.359   0.088  0.00  0.00    -0.465 OA
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5