REMARK  Name = BDB047009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.039   1.023  -0.492  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -4.725   0.410  -0.203  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -3.705   0.478  -1.124  0.00  0.00    -0.237 NA
ATOM      4  C   LIG    1       -2.688  -0.160  -0.583  0.00  0.00    +0.111 A 
ATOM      5  C   LIG    1       -1.344  -0.368  -1.185  0.00  0.00    +0.090 C 
ATOM      6  C   LIG    1       -0.225   0.274  -0.352  0.00  0.00    +0.092 C 
ATOM      7  N   LIG    1        0.182  -0.494   0.849  0.00  0.00    -0.295 NA
ATOM      8  C   LIG    1       -0.864  -0.515   1.896  0.00  0.00    +0.106 C 
ATOM      9  C   LIG    1       -2.117  -1.330   1.547  0.00  0.00    +0.138 C 
ATOM     10  N   LIG    1       -3.015  -0.623   0.663  0.00  0.00    -0.333 N 
ATOM     11  C   LIG    1       -4.309  -0.272   0.920  0.00  0.00    +0.110 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.437   0.050   1.425  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.688  -0.260   0.614  0.00  0.00    +0.056 A 
ATOM     14  N   LIG    1        3.187  -1.520   0.692  0.00  0.00    -0.259 NA
ATOM     15  C   LIG    1        4.268  -1.829  -0.057  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1        4.914  -0.923  -0.872  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        4.418   0.376  -0.909  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1        3.283   0.721  -0.173  0.00  0.00    +0.039 A 
BRANCH  17  19
ATOM     19  C   LIG    1        5.093   1.360  -1.780  0.00  0.00    +0.337 C 
ATOM     20  O   LIG    1        5.510   1.087  -2.891  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        5.237   2.568  -1.197  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        5.034   2.592  -0.243  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  12  13
ENDBRANCH   7  12
TORSDOF 4