REMARK  Name = BDB028024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.773  -0.978   0.230  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.353  -0.482   1.460  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.921   0.077   1.583  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.790   0.135   0.481  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1       -1.358  -0.402  -0.742  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.085  -0.962  -0.865  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.170   0.733   0.646  0.00  0.00    +0.019 C 
ATOM      8  C   LIG    1       -3.545   1.783  -0.421  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1       -4.752   1.214  -1.157  0.00  0.00    +0.001 C 
ATOM     10  C   LIG    1       -5.443   0.360  -0.108  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -4.282  -0.330   0.592  0.00  0.00    +0.008 C 
ENDBRANCH   4   7
BRANCH   1  12
ATOM     12  O   LIG    1        2.003  -1.554   0.069  0.00  0.00    -0.480 OA
BRANCH  12  19
ATOM     13  O   LIG    1        7.130   0.195   0.376  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        5.928  -0.041   0.309  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        5.235  -0.507   1.398  0.00  0.00    -0.253 N 
ATOM     16  H   LIG    1        5.787  -0.700   2.222  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        3.918  -0.907   1.456  0.00  0.00    +0.260 C 
ATOM     18  O   LIG    1        3.483  -1.429   2.479  0.00  0.00    -0.271 OA
ATOM     19  C   LIG    1        3.069  -0.613   0.212  0.00  0.00    +0.259 C 
ATOM     20  C   LIG    1        3.943  -0.734  -1.035  0.00  0.00    +0.063 C 
ATOM     21  C   LIG    1        5.122   0.216  -0.941  0.00  0.00    +0.100 C 
ENDBRANCH  12  19
ENDBRANCH   1  12
TORSDOF 3