REMARK  Name = BDB001238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.103   0.409  -1.166  0.00  0.00    -0.485 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -3.952  -2.477  -1.206  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -3.232  -1.210  -0.825  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -3.908  -0.185  -0.133  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -3.218   0.987   0.178  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.876   1.137  -0.188  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -1.199   0.125  -0.867  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -1.883  -1.047  -1.189  0.00  0.00    +0.052 A 
BRANCH   4   9
ATOM      9  O   LIG    1       -5.211  -0.456   0.166  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -6.031   0.401   0.962  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -7.423  -0.265   0.941  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.559   0.408   2.426  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -6.235   1.829   0.424  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -6.106   2.870   1.053  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.591   1.873  -0.876  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.654   2.829  -1.081  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   4   9
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.902  -0.668  -1.655  0.00  0.00    +0.293 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.296  -0.152  -1.783  0.00  0.00    +0.136 A 
ATOM     19  S   LIG    1        2.772   0.824  -3.111  0.00  0.00    +0.032 S 
ATOM     20  N   LIG    1        4.346   0.948  -2.584  0.00  0.00    -0.189 NA
ATOM     21  C   LIG    1        4.439   0.274  -1.429  0.00  0.00    +0.169 A 
ATOM     22  N   LIG    1        3.295  -0.379  -0.953  0.00  0.00    -0.220 NA
BRANCH  21  23
ATOM     23  C   LIG    1        5.694   0.194  -0.671  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.731  -0.448   0.576  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        6.921  -0.527   1.308  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        8.105   0.031   0.805  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        8.071   0.675  -0.441  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        6.880   0.755  -1.170  0.00  0.00    +0.012 A 
BRANCH  26  29
ATOM     29  C   LIG    1        9.395  -0.038   1.586  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        9.812   1.187   2.011  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        9.313  -0.813   2.704  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       10.425  -0.550   0.854  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9