REMARK  Name = BDB019882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.436   0.604   1.718  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        0.883   0.436   1.285  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.142  -0.068   0.005  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.082  -0.445  -0.831  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.244  -0.297  -0.403  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -1.491   0.242   0.871  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -1.499   2.492   4.576  0.00  0.00    -0.271 N 
ATOM      8  N   LIG    1       -0.804   1.576   5.272  0.00  0.00    -0.167 NA
ATOM      9  C   LIG    1       -0.312   0.739   4.333  0.00  0.00    +0.173 A 
ATOM     10  C   LIG    1       -0.714   1.155   3.028  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -1.486   2.278   3.231  0.00  0.00    +0.117 A 
BRANCH   9  12
ATOM     12  C   LIG    1        0.529  -0.462   4.674  0.00  0.00    +0.437 C 
ATOM     13  F   LIG    1        0.522  -0.769   6.000  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1        0.106  -1.583   4.024  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1        1.832  -0.283   4.326  0.00  0.00    -0.164 F 
ENDBRANCH   9  12
BRANCH   7  17
ATOM     16  C   LIG    1       -1.241   4.747   5.528  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -2.170   3.572   5.274  0.00  0.00    +0.140 C 
ENDBRANCH   7  17
ENDBRANCH   1  10
BRANCH   3  18
ATOM     18  C   LIG    1        2.555  -0.214  -0.430  0.00  0.00    +0.244 C 
ATOM     19  N   LIG    1        2.787  -0.021  -1.775  0.00  0.00    -0.309 N 
ATOM     20  H   LIG    1        2.110   0.528  -2.291  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1        3.433  -0.456   0.388  0.00  0.00    -0.270 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.147   0.068  -2.282  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.186   0.031  -3.809  0.00  0.00    +0.135 C 
ATOM     24  O   LIG    1        3.289   1.024  -4.355  0.00  0.00    -0.375 OA
ATOM     25  C   LIG    1        2.676   0.477  -5.533  0.00  0.00    +0.160 C 
ATOM     26  C   LIG    1        3.345  -0.854  -5.808  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1        3.763  -1.292  -4.426  0.00  0.00    +0.035 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   3  18
BRANCH   5  28
ATOM     28  C   LIG    1       -2.394  -0.730  -1.284  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.156  -1.808  -0.681  0.00  0.00    -0.278 N 
ATOM     30  C   LIG    1       -4.362  -2.160  -1.206  0.00  0.00    +0.278 C 
ATOM     31  N   LIG    1       -5.140  -1.497  -1.974  0.00  0.00    -0.253 NA
ATOM     32  H   LIG    1       -5.943  -2.109  -2.154  0.00  0.00    +0.191 HD
ATOM     33  O   LIG    1       -4.705  -3.428  -0.855  0.00  0.00    -0.464 OA
ATOM     34  C   LIG    1       -3.678  -3.918   0.022  0.00  0.00    +0.251 C 
ATOM     35  C   LIG    1       -2.489  -3.002  -0.213  0.00  0.00    +0.151 C 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8