REMARK  Name = BDB001209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.333   0.763  -0.178  0.00  0.00    +0.013 A 
ATOM      2  C   LIG    1       -2.034   1.347  -1.218  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -1.478   2.177  -2.318  0.00  0.00    +0.066 C 
ATOM      4  N   LIG    1       -3.398   1.109  -1.200  0.00  0.00    -0.244 NA
ATOM      5  C   LIG    1       -3.741   0.365  -0.164  0.00  0.00    +0.109 A 
ATOM      6  S   LIG    1       -2.415  -0.090   0.838  0.00  0.00    -0.072 S 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -5.130  -0.054   0.121  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -5.501  -0.813   1.242  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -6.836  -1.180   1.458  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -7.839  -0.803   0.555  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -7.481  -0.037  -0.560  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -6.147   0.327  -0.773  0.00  0.00    +0.011 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -9.279  -1.179   0.803  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1       -9.931  -0.259   1.565  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -9.415  -2.368   1.454  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1      -10.007  -1.300  -0.343  0.00  0.00    -0.166 F 
ENDBRANCH  10  13
ENDBRANCH   5   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.134   0.800   0.121  0.00  0.00    +0.049 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.876  -0.349  -0.569  0.00  0.00    +0.040 C 
BRANCH  18  24
ATOM     19  C   LIG    1        5.480   1.283  -1.812  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1        4.589   0.503  -0.884  0.00  0.00    -0.009 A 
ATOM     21  C   LIG    1        5.122  -0.154   0.239  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1        4.272  -0.870   1.086  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        2.901  -0.938   0.821  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        2.359  -0.294  -0.296  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1        3.211   0.428  -1.141  0.00  0.00    +0.010 A 
BRANCH  21  26
ATOM     26  O   LIG    1        6.475  -0.025   0.411  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1        7.064  -0.692   1.520  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1        8.562  -0.450   1.538  0.00  0.00    +0.343 C 
ATOM     29  O   LIG    1        9.232   0.205   0.757  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1        9.161  -1.070   2.580  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1       10.107  -0.835   2.473  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9