REMARK  Name = BDB019189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.292  -2.100   0.405  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.225  -2.169   1.510  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.073  -2.319   0.727  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.789  -1.622  -0.597  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.607  -1.915  -0.855  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.041  -0.088  -0.602  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1       -2.510   0.320  -0.716  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1       -3.001   1.417   0.027  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -4.352   1.790  -0.071  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -5.204   1.112  -0.936  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -4.723   0.064  -1.712  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1       -6.853   1.584  -1.060  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.096   2.188   0.959  0.00  0.00    +0.222 C 
ATOM     14  F   LIG    1       -2.369   1.896   2.265  0.00  0.00    -0.238 F 
ATOM     15  C   LIG    1       -0.628   1.873   0.686  0.00  0.00    +0.202 C 
ATOM     16  C   LIG    1       -3.384  -0.325  -1.609  0.00  0.00    +0.008 A 
ATOM     17  O   LIG    1       -0.444   0.459   0.587  0.00  0.00    -0.366 OA
ENDBRANCH   4   6
BRANCH   1  22
ATOM     18  C   LIG    1        4.236   1.782  -0.221  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1        3.705   0.673   0.455  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1        3.927   0.046   1.709  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.081  -1.036   1.786  0.00  0.00    +0.091 A 
ATOM     22  N   LIG    1        2.312  -1.072   0.635  0.00  0.00    -0.303 N 
ATOM     23  C   LIG    1        2.712  -0.050  -0.199  0.00  0.00    +0.148 A 
ATOM     24  N   LIG    1        2.235   0.222  -1.427  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1        2.826   1.292  -1.978  0.00  0.00    +0.225 A 
ATOM     26  N   LIG    1        3.781   2.079  -1.451  0.00  0.00    -0.220 NA
BRANCH  18  27
ATOM     27  N   LIG    1        5.234   2.594   0.300  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        5.859   2.129   0.944  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        5.671   3.133  -0.438  0.00  0.00    +0.144 HD
ENDBRANCH  18  27
ENDBRANCH   1  22
BRANCH   2  30
ATOM     30  O   LIG    1        0.428  -3.285   2.390  0.00  0.00    -0.385 OA
ATOM     31  H   LIG    1       -0.292  -3.920   2.190  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1       -1.302  -3.730   0.510  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1       -0.709  -4.021  -0.210  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 5