REMARK  Name = BDB008638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.170  -0.866   0.245  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        1.781  -1.865   1.137  0.00  0.00    +0.168 A 
ATOM      3  C   LIG    1        0.589  -1.734   1.840  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.242  -0.636   1.597  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.098   0.346   0.644  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        1.330   0.218  -0.020  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.848   1.526   0.415  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1       -0.417   2.550  -0.647  0.00  0.00    +0.033 C 
BRANCH   7   9
ATOM      9  N   LIG    1       -2.256   1.108   0.197  0.00  0.00    -0.289 N 
ATOM     10  C   LIG    1       -3.168   1.351   1.233  0.00  0.00    +0.246 C 
ATOM     11  O   LIG    1       -2.798   1.750   2.345  0.00  0.00    -0.273 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -4.688   1.213   0.978  0.00  0.00    +0.217 C 
ATOM     13  O   LIG    1       -5.129   0.053   0.285  0.00  0.00    -0.365 OA
ATOM     14  C   LIG    1       -6.559  -0.045   0.232  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1       -7.290   1.308   0.314  0.00  0.00    +0.109 C 
ATOM     16  N   LIG    1       -6.537   2.384  -0.345  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1       -6.401   2.106  -1.318  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -5.199   2.498   0.280  0.00  0.00    +0.122 C 
ENDBRANCH  10  12
BRANCH   9  19
ATOM     19  C   LIG    1       -2.651   0.603  -1.105  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -1.791  -0.251  -2.008  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -2.948  -0.866  -1.296  0.00  0.00    +0.024 C 
ENDBRANCH   9  19
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  22
ATOM     22  O   LIG    1        3.363  -0.954  -0.425  0.00  0.00    -0.488 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.399  -0.322   0.341  0.00  0.00    +0.231 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.715  -0.531  -0.395  0.00  0.00    +0.069 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.879   0.112   0.348  0.00  0.00    +0.163 C 
BRANCH  25  27
ATOM     26  C   LIG    1        8.732  -1.261  -0.237  0.00  0.00    +0.193 C 
ATOM     27  O   LIG    1        8.092  -0.001  -0.394  0.00  0.00    -0.383 OA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
BRANCH   2  28
ATOM     28  O   LIG    1        2.571  -2.947   1.413  0.00  0.00    -0.431 OA
BRANCH  28  29
ATOM     29  C   LIG    1        2.598  -3.839   0.305  0.00  0.00    +0.541 C 
ATOM     30  F   LIG    1        1.380  -4.427   0.184  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        3.473  -4.832   0.615  0.00  0.00    -0.166 F 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 11