REMARK  Name = BDB044051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.765  -0.310   0.938  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -1.772   0.493   0.408  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -0.453   0.152   0.208  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1        0.159   1.265  -0.352  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -0.813   2.374  -0.513  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -0.637   3.481  -0.972  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1        1.449   1.347  -0.701  0.00  0.00    +0.061 C 
ATOM      8  C   LIG    1       -2.049   1.802   0.010  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -3.301   2.374   0.120  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.313   1.581   0.660  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.048   0.255   1.064  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.416   0.261  -0.492  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        2.266  -1.039  -1.002  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1        3.205  -2.031  -0.728  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        4.327  -1.733   0.043  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        4.507  -0.443   0.536  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.559   0.548   0.269  0.00  0.00    +0.011 A 
BRANCH  13  18
ATOM     18  O   LIG    1        1.214  -1.411  -1.794  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        0.814  -0.605  -2.161  0.00  0.00    +0.292 HD
ENDBRANCH  13  18
ENDBRANCH   7  12
BRANCH   1  23
ATOM     20  N   LIG    1       -1.348  -2.299   1.135  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -1.227  -3.264   1.410  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -0.582  -1.845   0.652  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -2.559  -1.716   1.372  0.00  0.00    +0.245 C 
ATOM     24  O   LIG    1       -3.456  -2.346   1.919  0.00  0.00    -0.270 OA
ENDBRANCH   1  23
TORSDOF 3