REMARK  Name = BDB051505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.818   4.375  -1.127  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -1.411   3.089  -0.608  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1       -1.183   2.763   0.675  0.00  0.00    +0.183 C 
ATOM      4  N   LIG    1       -0.765   1.562   0.906  0.00  0.00    -0.230 NA
ATOM      5  C   LIG    1       -0.666   0.873  -0.436  0.00  0.00    +0.191 C 
ATOM      6  C   LIG    1       -1.101   2.016  -1.393  0.00  0.00    +0.258 C 
ATOM      7  O   LIG    1       -1.157   1.991  -2.616  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        0.781   0.417  -0.706  0.00  0.00    -0.003 A 
ATOM      9  C   LIG    1        1.708   0.277   0.351  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        3.032  -0.162   0.144  0.00  0.00    -0.012 A 
ATOM     11  C   LIG    1        3.420  -0.474  -1.165  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        2.514  -0.355  -2.213  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1        2.905  -0.672  -3.455  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        1.212   0.078  -1.998  0.00  0.00    +0.045 A 
BRANCH  10  15
ATOM     15  C   LIG    1        3.970  -0.294   1.265  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        3.646  -0.923   2.457  0.00  0.00    +0.122 A 
ATOM     17  N   LIG    1        4.484  -1.060   3.509  0.00  0.00    -0.243 NA
ATOM     18  C   LIG    1        5.708  -0.538   3.345  0.00  0.00    +0.221 A 
ATOM     19  N   LIG    1        6.152   0.094   2.250  0.00  0.00    -0.243 NA
ATOM     20  C   LIG    1        5.264   0.200   1.236  0.00  0.00    +0.122 A 
ENDBRANCH  10  15
ENDBRANCH   5   8
BRANCH   5  21
ATOM     21  C   LIG    1       -1.626  -0.334  -0.464  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1       -2.247  -0.776  -1.641  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -3.089  -1.894  -1.633  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.327  -2.607  -0.457  0.00  0.00    +0.130 A 
ATOM     25  C   LIG    1       -2.704  -2.193   0.717  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -1.860  -1.074   0.710  0.00  0.00    +0.010 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -4.169  -3.672  -0.600  0.00  0.00    -0.406 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.463  -4.440   0.553  0.00  0.00    +0.575 C 
ATOM     29  F   LIG    1       -3.348  -5.004   1.064  0.00  0.00    -0.133 F 
ATOM     30  F   LIG    1       -5.313  -5.433   0.206  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1       -5.064  -3.688   1.501  0.00  0.00    -0.133 F 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH   5  21
BRANCH   3  32
ATOM     32  N   LIG    1       -1.385   3.644   1.682  0.00  0.00    -0.331 N 
ATOM     33  H   LIG    1       -1.389   3.197   2.594  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1       -2.142   4.303   1.566  0.00  0.00    +0.145 HD
ENDBRANCH   3  32
TORSDOF 6