REMARK  Name = BDB060101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.959  -0.825   0.408  0.00  0.00    +0.170 A 
ATOM      2  N   LIG    1        0.196  -1.476   0.328  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        1.286  -0.726   0.402  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        1.239   0.593   0.559  0.00  0.00    -0.181 NA
ATOM      5  C   LIG    1        0.045   1.174   0.638  0.00  0.00    +0.223 A 
ATOM      6  N   LIG    1       -1.086   0.483   0.577  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.406  -3.218   0.364  0.00  0.00    +0.213 A 
ATOM      8  N   LIG    1       -4.455  -2.078  -0.325  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -3.342  -1.282  -0.326  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -2.178  -1.624   0.352  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -2.249  -2.849   0.996  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1       -3.333  -3.656   1.013  0.00  0.00    -0.222 NA
BRANCH   7  13
ATOM     13  N   LIG    1       -5.525  -4.019   0.361  0.00  0.00    -0.327 N 
ATOM     14  H   LIG    1       -6.091  -3.840  -0.455  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -5.267  -4.977   0.552  0.00  0.00    +0.145 HD
ENDBRANCH   7  13
BRANCH   9  16
ATOM     16  C   LIG    1       -3.446  -0.019  -1.153  0.00  0.00    +0.390 C 
ATOM     17  F   LIG    1       -3.610   1.115  -0.414  0.00  0.00    -0.202 F 
ATOM     18  F   LIG    1       -2.369   0.198  -1.962  0.00  0.00    -0.202 F 
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  N   LIG    1        2.519  -1.343   0.346  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1        2.634  -2.686  -0.232  0.00  0.00    +0.136 C 
ATOM     21  C   LIG    1        3.732  -2.705  -1.308  0.00  0.00    +0.179 C 
ATOM     22  O   LIG    1        5.025  -2.302  -0.830  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1        4.969  -1.368   0.259  0.00  0.00    +0.179 C 
ATOM     24  C   LIG    1        3.708  -0.491   0.257  0.00  0.00    +0.136 C 
ENDBRANCH   3  19
BRANCH   5  25
ATOM     25  N   LIG    1       -0.021   2.557   0.835  0.00  0.00    -0.295 N 
ATOM     26  C   LIG    1        1.152   3.287   0.326  0.00  0.00    +0.136 C 
ATOM     27  C   LIG    1        1.031   4.781   0.662  0.00  0.00    +0.179 C 
ATOM     28  O   LIG    1       -0.199   5.335   0.170  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -1.314   4.660   0.773  0.00  0.00    +0.179 C 
ATOM     30  C   LIG    1       -1.310   3.158   0.449  0.00  0.00    +0.136 C 
ENDBRANCH   5  25
TORSDOF 5