REMARK  Name = BDB047364
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.365  -0.560  -0.637  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1        7.072   0.843   0.470  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1        6.079   1.876   0.777  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1        4.871   1.324   0.457  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        4.964   0.112  -0.200  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        3.828  -0.575  -0.601  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        2.579  -0.015  -0.316  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        2.501   1.222   0.350  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        3.655   1.905   0.740  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        6.391  -0.227  -0.413  0.00  0.00    +0.098 C 
BRANCH   2  12
ATOM     11  C   LIG    1        8.655  -0.749   1.792  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1        7.575   0.323   1.835  0.00  0.00    +0.057 C 
ENDBRANCH   2  12
BRANCH   2  13
ATOM     13  C   LIG    1        8.210   1.540  -0.283  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1        8.463   2.735  -0.310  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1        9.017   0.686  -0.954  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1        9.686   1.280  -1.359  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   2  13
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1        1.372  -1.835  -1.278  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.071  -2.263  -1.516  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.834  -2.446  -0.206  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.170  -2.876  -0.470  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.162  -1.939  -0.591  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -4.480  -2.419  -0.643  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1       -4.827  -4.112  -0.544  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1       -5.561  -1.540  -0.772  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1       -5.349  -0.159  -0.854  0.00  0.00    -0.045 A 
ATOM     26  C   LIG    1       -4.034   0.319  -0.818  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -2.952  -0.561  -0.688  0.00  0.00    +0.047 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -6.514   0.794  -0.994  0.00  0.00    +0.041 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.138   1.335   0.324  0.00  0.00    -0.034 C 
ATOM     30  C   LIG    1       -8.298   2.279  -0.056  0.00  0.00    +0.011 C 
ATOM     31  C   LIG    1       -6.117   2.136   1.149  0.00  0.00    +0.011 C 
ATOM     32  C   LIG    1       -7.708   0.198   1.190  0.00  0.00    +0.011 C 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11