REMARK  Name = BDB014900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.051  -1.032  -0.670  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1       -0.060  -1.798  -1.337  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -3.833  -3.609  -3.848  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.570  -2.300  -3.707  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -3.986  -1.326  -2.904  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.580  -1.415  -2.460  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.315  -0.467  -1.346  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.169  -0.283  -0.530  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.381   0.695   0.355  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.631   1.135   0.122  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1       -3.222   0.476  -0.911  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.580   0.663  -1.477  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -4.627   0.006  -2.871  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -5.647  -2.136  -4.281  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -3.189   2.178   0.947  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1       -3.345   1.799   2.409  0.00  0.00    +0.186 C 
ATOM     17  O   LIG    1       -3.435   3.038   3.136  0.00  0.00    -0.378 OA
ATOM     18  C   LIG    1       -2.935   4.089   2.295  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1       -2.360   3.442   1.051  0.00  0.00    +0.057 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.207  -0.971  -0.025  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        2.147  -1.973  -0.304  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        1.827  -2.943  -1.177  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.406  -1.997   0.288  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        3.771  -0.995   1.194  0.00  0.00    -0.004 A 
ATOM     25  C   LIG    1        2.848   0.022   1.512  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        1.579   0.019   0.889  0.00  0.00    +0.036 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.093  -1.056   1.780  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.069  -0.096   1.621  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        7.161  -0.549   2.304  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        8.435   0.113   2.442  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        6.967  -1.746   2.888  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        5.713  -2.061   2.555  0.00  0.00    +0.142 A 
ENDBRANCH  24  27
BRANCH  25  33
ATOM     33  C   LIG    1        3.177   1.126   2.489  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1        3.982   2.082   1.944  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1        2.076   1.798   2.936  0.00  0.00    -0.204 F 
ENDBRANCH  25  33
ENDBRANCH   1  20
TORSDOF 5