REMARK  Name = BDB047556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.282   0.319  -1.369  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -2.795   0.230  -1.123  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.296   1.423  -0.589  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.958   1.561  -0.244  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.098   0.483  -0.472  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -0.596  -0.700  -1.046  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.382   2.442  -0.456  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -1.947  -0.835  -1.376  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.429   1.865  -1.421  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.149  -0.313  -0.254  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -5.763  -2.432   1.042  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -4.931  -1.829  -0.085  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.602  -0.072  -0.603  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -7.162  -0.375  -1.642  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.278   0.539   0.388  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -8.193   0.619   0.043  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        1.242   0.453  -0.195  0.00  0.00    -0.486 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.792   1.585   0.489  0.00  0.00    +0.287 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.239   1.381   0.801  0.00  0.00    +0.121 A 
ATOM     20  N   LIG    1        3.844   2.140   1.725  0.00  0.00    -0.079 NA
ATOM     21  O   LIG    1        5.153   1.695   1.775  0.00  0.00    -0.354 OA
ATOM     22  C   LIG    1        5.336   0.682   0.879  0.00  0.00    +0.168 A 
ATOM     23  C   LIG    1        4.144   0.455   0.231  0.00  0.00    +0.079 A 
BRANCH  22  24
ATOM     24  C   LIG    1        6.673   0.101   0.809  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        7.663   0.430   1.749  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        8.937  -0.140   1.679  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        9.242  -1.046   0.666  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.274  -1.381  -0.277  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.998  -0.814  -0.204  0.00  0.00    +0.011 A 
ENDBRANCH  22  24
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 8