REMARK  Name = BDB047562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.249  -0.146  -1.394  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.447  -0.517  -0.062  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -2.706  -0.958   0.323  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.120  -1.447   1.676  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1       -4.649  -1.365   1.570  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1       -4.996  -1.600   0.079  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -3.763  -1.044  -0.591  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -3.571  -0.700  -1.918  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.310  -0.242  -2.311  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1       -0.077   0.315  -1.933  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1        1.032   0.460  -1.042  0.00  0.00    +0.235 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.214   0.999  -1.842  0.00  0.00    +0.100 C 
BRANCH  12  15
ATOM     13  C   LIG    1        3.673   3.900  -0.959  0.00  0.00    +0.088 C 
ATOM     14  C   LIG    1        3.958   2.491  -0.641  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1        3.389   1.282  -0.983  0.00  0.00    +0.086 A 
ATOM     16  N   LIG    1        4.089   0.261  -0.381  0.00  0.00    -0.214 NA
ATOM     17  C   LIG    1        5.049   0.871   0.290  0.00  0.00    +0.228 A 
ATOM     18  O   LIG    1        5.025   2.237   0.174  0.00  0.00    -0.440 OA
BRANCH  17  19
ATOM     19  C   LIG    1        6.105   0.296   1.120  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        7.049   1.095   1.782  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        8.048   0.517   2.571  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        8.115  -0.868   2.707  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        7.186  -1.676   2.056  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.188  -1.097   1.268  0.00  0.00    +0.013 A 
ENDBRANCH  17  19
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  25
ATOM     25  C   LIG    1       -6.349  -1.037  -0.384  0.00  0.00    +0.213 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -7.510  -1.634   0.368  0.00  0.00    +0.319 C 
ATOM     27  O   LIG    1       -8.549  -1.077   0.681  0.00  0.00    -0.250 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -7.375  -2.955   0.610  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1       -8.217  -3.202   1.052  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  C   LIG    1       -6.393   0.469  -0.333  0.00  0.00    +0.319 C 
ATOM     31  O   LIG    1       -6.415   1.179   0.659  0.00  0.00    -0.250 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.386   1.032  -1.560  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -6.392   1.996  -1.375  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH   6  25
TORSDOF 10