REMARK  Name = BDB028587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.549  -0.096  -0.603  0.00  0.00    -0.448 OA
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -1.249   0.188   1.545  0.00  0.00    -0.226 OA
ATOM      3  C   LIG    1       -1.442   0.309   0.341  0.00  0.00    +0.403 C 
ATOM      4  N   LIG    1       -2.582   0.880  -0.210  0.00  0.00    -0.267 N 
ATOM      5  C   LIG    1       -3.496   1.573   0.699  0.00  0.00    +0.119 C 
ATOM      6  C   LIG    1       -4.951   1.667   0.194  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -4.977   2.130  -1.273  0.00  0.00    +0.011 C 
ATOM      8  C   LIG    1       -4.074   1.271  -2.153  0.00  0.00    +0.020 C 
ATOM      9  C   LIG    1       -2.646   1.243  -1.623  0.00  0.00    +0.111 C 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.812   0.424   0.401  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1       -5.284  -0.866   0.546  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -6.124  -1.968   0.728  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -7.505  -1.800   0.765  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -8.050  -0.528   0.621  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.211   0.574   0.441  0.00  0.00    +0.004 A 
ENDBRANCH   6  10
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        0.643  -0.738  -0.100  0.00  0.00    +0.266 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.669   0.325   0.311  0.00  0.00    +0.166 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.040   1.113  -0.831  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1        1.210   1.324  -1.294  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.914  -0.280   1.001  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.498  -1.465   0.335  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        4.275  -1.118  -0.873  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        5.647  -0.530  -0.611  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        6.311  -0.758   0.608  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        7.597  -0.237   0.808  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        8.229   0.487  -0.202  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.580   0.702  -1.415  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.616  -1.500   1.722  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        6.297   0.194  -1.621  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.359  -2.242   1.244  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7