REMARK  Name = BDB057996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.596  -2.293  -0.433  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1       -0.226  -2.203  -0.691  0.00  0.00    -0.231 N 
ATOM      3  N   LIG    1        0.258  -3.385  -1.188  0.00  0.00    -0.159 NA
ATOM      4  C   LIG    1       -0.767  -4.249  -1.099  0.00  0.00    +0.170 A 
ATOM      5  C   LIG    1       -1.932  -3.620  -0.631  0.00  0.00    +0.065 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -4.304   0.874   0.517  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -3.610   0.885  -0.692  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.722  -0.152  -1.003  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.511  -1.204  -0.103  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.223  -1.222   1.100  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -4.107  -0.185   1.407  0.00  0.00    +0.046 A 
BRANCH   6  12
ATOM     12  O   LIG    1       -5.194   1.820   0.945  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -6.458   3.829   0.743  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -5.446   2.918   0.070  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   2  15
ATOM     15  C   LIG    1        0.690  -1.120  -0.497  0.00  0.00    +0.066 A 
ATOM     16  C   LIG    1        0.389  -0.020   0.316  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        1.318   1.014   0.480  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1        2.563   0.947  -0.143  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1        2.876  -0.140  -0.957  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        1.950  -1.175  -1.122  0.00  0.00    +0.031 A 
BRANCH  18  21
ATOM     21  O   LIG    1        3.409   2.016   0.037  0.00  0.00    -0.456 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.732   1.738   0.299  0.00  0.00    +0.128 A 
ATOM     23  C   LIG    1        5.686   2.458  -0.420  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        7.044   2.246  -0.178  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.444   1.327   0.793  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.488   0.625   1.528  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.129   0.835   1.288  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   2  15
BRANCH   4  28
ATOM     28  C   LIG    1       -0.589  -5.648  -1.494  0.00  0.00    +0.357 C 
ATOM     29  O   LIG    1       -1.467  -6.497  -1.455  0.00  0.00    -0.243 OA
BRANCH  28  30
ATOM     30  O   LIG    1        0.680  -5.907  -1.914  0.00  0.00    -0.476 OA
ATOM     31  H   LIG    1        1.174  -5.056  -1.843  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH   4  28
TORSDOF 8