REMARK  Name = BDB047778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.634   0.597   0.785  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -4.932   0.115   1.006  0.00  0.00    +0.174 A 
ATOM      3  C   LIG    1       -5.381  -1.149   0.673  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -6.740  -1.160   1.091  0.00  0.00    +0.193 A 
ATOM      5  N   LIG    1       -7.087   0.021   1.633  0.00  0.00    -0.073 NA
ATOM      6  C   LIG    1       -4.487  -2.041   0.062  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -3.175  -1.607  -0.187  0.00  0.00    +0.047 A 
ATOM      8  O   LIG    1       -5.952   0.809   1.580  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1       -2.753  -0.315   0.159  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -7.712  -2.278   0.960  0.00  0.00    +0.438 C 
ATOM     11  F   LIG    1       -7.111  -3.493   1.108  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1       -8.300  -2.296  -0.267  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -8.715  -2.237   1.876  0.00  0.00    -0.164 F 
ENDBRANCH   4  10
BRANCH   1  14
ATOM     14  C   LIG    1       -3.224   1.995   1.171  0.00  0.00    +0.042 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.901   2.983  -1.162  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -3.654   3.060   0.159  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   9  17
ATOM     17  O   LIG    1       -1.486   0.162  -0.063  0.00  0.00    -0.491 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.596  -0.629  -0.849  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.677   0.179  -1.063  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.700  -0.597  -1.881  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.862   0.197  -2.118  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.904   0.113  -1.237  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        5.076   0.740  -1.665  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        6.222   0.738  -0.867  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.208   0.114   0.386  0.00  0.00    -0.037 A 
ATOM     26  C   LIG    1        5.030  -0.512   0.814  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        3.885  -0.509   0.010  0.00  0.00    +0.046 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.445   0.099   1.252  0.00  0.00    +0.155 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.254  -1.170   1.145  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1        7.972  -2.205   0.566  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        9.420  -1.077   1.822  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1        9.841  -1.952   1.680  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 12