REMARK  Name = BDB050604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.035   0.677  -1.207  0.00  0.00    -0.456 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.513  -0.593   0.713  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        2.440  -0.122   1.481  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1        1.264   0.308   0.861  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.151   0.241  -0.530  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        2.220  -0.217  -1.302  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        3.398  -0.646  -0.682  0.00  0.00    +0.016 A 
BRANCH   2  11
ATOM      8  N   LIG    1        5.915  -1.034   0.717  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        6.750  -1.213   1.260  0.00  0.00    +0.145 HD
ATOM     10  H   LIG    1        6.024  -0.500  -0.133  0.00  0.00    +0.145 HD
ATOM     11  C   LIG    1        4.742  -1.040   1.422  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1        4.721  -1.371   2.600  0.00  0.00    -0.270 OA
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  C   LIG    1       -1.190   0.250  -0.748  0.00  0.00    +0.129 A 
ATOM     14  C   LIG    1       -2.200   1.207  -0.658  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1       -3.479   0.836  -0.225  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1       -3.746  -0.506   0.081  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -2.736  -1.465  -0.034  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -1.459  -1.089  -0.452  0.00  0.00    +0.046 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -4.522   1.891  -0.132  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1       -4.425   2.949  -0.740  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1       -5.585   1.657   0.696  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -5.559   0.952   1.418  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -6.209   2.442   0.839  0.00  0.00    +0.145 HD
ENDBRANCH  15  19
ENDBRANCH   1  13
TORSDOF 4