REMARK  Name = BDB018552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.169  -5.888  -0.100  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.391  -4.452  -0.195  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        2.692  -3.970  -0.241  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        3.706  -4.660  -0.208  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        2.828  -2.496  -0.342  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        1.749  -1.692  -0.362  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1        0.396  -2.271  -0.290  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.291  -3.614  -0.218  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.027  -0.249  -0.496  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.512   0.501   0.575  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1        2.747   1.835   0.529  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        2.515   2.448  -0.650  0.00  0.00    +0.220 A 
ATOM     13  C   LIG    1        2.022   1.797  -1.771  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        1.779   0.427  -1.692  0.00  0.00    +0.015 A 
BRANCH  12  15
ATOM     15  O   LIG    1        2.704   3.803  -0.762  0.00  0.00    -0.417 OA
BRANCH  15  16
ATOM     16  C   LIG    1        3.553   4.304   0.253  0.00  0.00    +0.542 C 
ATOM     17  F   LIG    1        4.830   3.935  -0.021  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        3.523   5.661   0.151  0.00  0.00    -0.166 F 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1       -0.781  -1.453  -0.308  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -1.049  -0.365   0.492  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.284   0.131   0.116  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1       -2.827  -0.633  -0.855  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -1.923  -1.577  -1.113  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -2.952   1.292   0.612  0.00  0.00    +0.085 A 
ATOM     25  C   LIG    1       -4.281   1.608   0.252  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1       -4.857   2.777   0.769  0.00  0.00    +0.143 A 
ATOM     27  F   LIG    1       -6.118   3.107   0.453  0.00  0.00    -0.204 F 
ATOM     28  C   LIG    1       -4.160   3.627   1.623  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1       -2.855   3.318   1.980  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -2.253   2.160   1.480  0.00  0.00    +0.029 A 
BRANCH  25  31
ATOM     31  C   LIG    1       -5.130   0.810  -0.588  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1       -5.876   0.207  -1.244  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 6