REMARK  Name = BDB047532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.685  -0.186   0.851  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.264   0.219   0.559  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -3.102   1.603   0.632  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.874   2.191   0.373  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.781   1.377   0.055  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -0.948  -0.015  -0.013  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -4.392   2.288   0.950  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.194  -0.601   0.239  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.241   1.119   1.472  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.435  -0.721  -0.386  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -6.276  -0.313  -2.757  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.733   0.321  -1.480  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.715  -1.364   0.101  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -7.796  -0.822   0.263  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.559  -2.671   0.389  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -7.447  -2.957   0.689  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.380   2.064  -0.169  0.00  0.00    -0.490 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.594   1.329  -0.349  0.00  0.00    +0.252 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.201   0.945   0.995  0.00  0.00    +0.184 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.341   0.064   0.841  0.00  0.00    -0.265 N 
ATOM     21  C   LIG    1        3.444  -1.255   1.192  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        2.361  -2.040   1.831  0.00  0.00    +0.065 C 
ATOM     23  C   LIG    1        4.721  -1.625   0.828  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        5.327  -0.470   0.263  0.00  0.00    +0.093 A 
ATOM     25  N   LIG    1        4.459   0.555   0.281  0.00  0.00    -0.171 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.683  -0.322  -0.283  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.127   0.924  -0.757  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        8.414   1.079  -1.279  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        9.278  -0.011  -1.335  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.856  -1.255  -0.871  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.567  -1.409  -0.349  0.00  0.00    +0.010 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9