REMARK  Name = BDB019190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.232  -0.299   1.474  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.677  -1.629   0.955  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.625  -1.199   0.302  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.103  -0.124   1.278  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.094   0.576   1.705  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.118   0.878   0.684  0.00  0.00    +0.187 C 
ATOM      7  C   LIG    1        3.497   0.323   0.402  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        4.169  -0.519   1.306  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        5.441  -1.018   1.008  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        6.055  -0.667  -0.187  0.00  0.00    +0.162 A 
ATOM     11  C   LIG    1        5.421   0.186  -1.078  0.00  0.00    +0.200 A 
ATOM     12  F   LIG    1        6.037   0.533  -2.219  0.00  0.00    -0.199 F 
ATOM     13  F   LIG    1        7.273  -1.152  -0.465  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1        4.156   0.696  -0.780  0.00  0.00    +0.167 A 
ATOM     15  O   LIG    1        3.601   1.554  -1.693  0.00  0.00    -0.463 OA
ATOM     16  C   LIG    1        2.482   2.262  -1.174  0.00  0.00    +0.395 C 
ATOM     17  O   LIG    1        1.552   1.412  -0.523  0.00  0.00    -0.333 OA
ENDBRANCH   4   6
BRANCH   1  23
ATOM     18  C   LIG    1       -6.114   1.171  -2.042  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1       -5.317   0.372  -1.059  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -4.015   0.701  -0.652  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -3.078   1.727  -0.943  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -1.945   1.483  -0.196  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1       -2.155   0.341   0.539  0.00  0.00    -0.303 N 
ATOM     24  C   LIG    1       -3.414  -0.144   0.272  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1       -3.951  -1.250   0.812  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1       -5.196  -1.471   0.359  0.00  0.00    +0.223 A 
ATOM     27  N   LIG    1       -5.897  -0.740  -0.530  0.00  0.00    -0.240 NA
ENDBRANCH   1  23
BRANCH   2  28
ATOM     28  O   LIG    1       -0.382  -2.522   2.047  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1        0.371  -3.070   1.744  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1        1.523  -2.303   0.207  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1        1.390  -2.707  -0.671  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 4