REMARK  Name = BDB046392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.093  -0.954   1.617  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1        0.169  -0.913   1.078  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.281  -1.174   0.104  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.290  -0.801   2.819  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.684  -1.153   0.433  0.00  0.00    -0.046 A 
ATOM      6  C   LIG    1       -3.532  -0.978   1.210  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.243  -1.184   0.676  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1       -2.108  -1.587  -0.669  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -3.263  -1.772  -1.440  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.533  -1.559  -0.896  0.00  0.00    +0.007 A 
BRANCH   8  11
ATOM     11  O   LIG    1       -0.840  -1.793  -1.154  0.00  0.00    -0.494 OA
ATOM     12  C   LIG    1       -0.697  -2.193  -2.513  0.00  0.00    +0.277 C 
ENDBRANCH   8  11
BRANCH   5  13
ATOM     13  C   LIG    1       -6.060  -0.928   1.010  0.00  0.00    +0.049 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -6.602   0.517   1.056  0.00  0.00    +0.102 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.199   2.007  -0.559  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.518   1.300  -0.268  0.00  0.00    +0.011 C 
ENDBRANCH  14  16
BRANCH  14  17
ATOM     17  C   LIG    1       -6.101   1.290   2.260  0.00  0.00    +0.308 C 
ATOM     18  O   LIG    1       -5.416   0.870   3.176  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -6.577   2.551   2.307  0.00  0.00    -0.480 OA
ATOM     20  H   LIG    1       -6.201   2.909   3.139  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  C   LIG    1        1.341  -0.812   1.909  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.581  -0.677   1.065  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.321  -1.811   0.698  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        4.451  -1.686  -0.112  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.854  -0.427  -0.555  0.00  0.00    +0.128 A 
ATOM     26  C   LIG    1        4.107   0.706  -0.226  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        2.977   0.580   0.584  0.00  0.00    +0.009 A 
BRANCH  25  28
ATOM     28  O   LIG    1        5.956  -0.376  -1.378  0.00  0.00    -0.456 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.907   0.580  -1.103  0.00  0.00    +0.128 A 
ATOM     30  C   LIG    1        7.421   1.291  -2.188  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        8.412   2.252  -1.983  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        8.897   2.490  -0.697  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.399   1.763   0.385  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        7.408   0.801   0.183  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 11