REMARK  Name = BDB045951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.306  -0.137  -2.128  0.00  0.00    +0.248 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.012   0.229  -2.625  0.00  0.00    -0.490 OA
BRANCH   2   6
ATOM      3  C   LIG    1        3.439  -0.964  -0.594  0.00  0.00    -0.044 A 
ATOM      4  C   LIG    1        3.381   0.218  -1.340  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        2.209   0.575  -2.010  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.075  -0.233  -1.936  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        1.132  -1.425  -1.218  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.305  -1.786  -0.546  0.00  0.00    +0.007 A 
BRANCH   3   9
ATOM      9  C   LIG    1        4.702  -1.356   0.143  0.00  0.00    +0.078 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.039  -0.488   1.368  0.00  0.00    +0.230 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.871  -0.431   2.357  0.00  0.00    +0.334 C 
ATOM     12  O   LIG    1        3.337   0.559   2.832  0.00  0.00    -0.248 OA
BRANCH  11  13
ATOM     13  O   LIG    1        3.473  -1.657   2.769  0.00  0.00    -0.479 OA
ATOM     14  H   LIG    1        2.752  -1.448   3.401  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
BRANCH  10  15
ATOM     15  O   LIG    1        5.445   0.826   0.969  0.00  0.00    -0.365 OA
BRANCH  15  17
ATOM     16  C   LIG    1        7.138   2.352   0.272  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1        6.848   0.946   0.761  0.00  0.00    +0.157 C 
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.660   0.642  -0.849  0.00  0.00    +0.152 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.018   0.319  -0.369  0.00  0.00    -0.296 N 
ATOM     20  C   LIG    1       -3.825   1.406   0.049  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -5.218   1.422  -0.181  0.00  0.00    -0.004 A 
ATOM     22  C   LIG    1       -5.986   2.520   0.249  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -5.399   3.588   0.926  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.035   3.575   1.176  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.921   0.382  -0.948  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1       -5.634  -0.927  -0.973  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1       -4.556  -1.605  -0.236  0.00  0.00    -0.004 A 
ATOM     28  C   LIG    1       -4.793  -2.940   0.144  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -3.812  -3.690   0.789  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -2.578  -3.116   1.059  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -2.327  -1.796   0.676  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1       -3.260   2.496   0.743  0.00  0.00    +0.024 A 
ATOM     33  C   LIG    1       -3.296  -1.016   0.012  0.00  0.00    +0.041 A 
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10