REMARK  Name = BDB047915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.390   0.026   0.584  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1        2.001  -1.292   0.822  0.00  0.00    +0.128 A 
ATOM      3  F   LIG    1        2.781  -2.100   1.552  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.807  -1.792   0.312  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.025  -0.970  -0.452  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.342   0.353  -0.704  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1        1.544   0.844  -0.181  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        3.692   0.548   1.127  0.00  0.00    +0.149 C 
BRANCH   8  10
ATOM      9  C   LIG    1        6.139   0.236   0.986  0.00  0.00    +0.403 C 
ATOM     10  N   LIG    1        4.887   0.120   0.395  0.00  0.00    -0.252 N 
ATOM     11  O   LIG    1        7.194   0.115   0.373  0.00  0.00    -0.226 OA
BRANCH   9  13
ATOM     12  C   LIG    1        7.343   0.636   2.956  0.00  0.00    +0.282 C 
ATOM     13  O   LIG    1        6.072   0.508   2.318  0.00  0.00    -0.454 OA
ENDBRANCH   9  13
BRANCH  10  14
ATOM     14  C   LIG    1        4.866   0.070  -1.070  0.00  0.00    +0.231 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.855   1.453  -1.705  0.00  0.00    +0.322 C 
ATOM     16  O   LIG    1        4.593   2.517  -1.166  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1        5.126   1.413  -3.028  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1        5.094   2.353  -3.305  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   6  19
ATOM     19  O   LIG    1       -0.377   1.269  -1.421  0.00  0.00    -0.486 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -1.535   0.815  -2.137  0.00  0.00    +0.288 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.751   0.682  -1.288  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1       -3.226   1.514  -0.296  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1       -2.772   2.781   0.301  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1       -4.369   0.959   0.207  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1       -4.535  -0.195  -0.513  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1       -3.598  -0.400  -1.421  0.00  0.00    -0.210 NA
BRANCH  25  27
ATOM     27  C   LIG    1       -5.698  -1.017  -0.188  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -6.564  -0.694   0.870  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1       -7.665  -1.505   1.162  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -7.904  -2.639   0.396  0.00  0.00    +0.123 A 
ATOM     31  F   LIG    1       -8.960  -3.414   0.676  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.065  -2.979  -0.657  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -5.964  -2.170  -0.947  0.00  0.00    +0.016 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 10