REMARK  Name = BDB021179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.259   0.052   0.191  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.450  -0.910  -0.480  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        0.103  -0.625  -0.592  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.480  -1.682  -1.249  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        0.544  -2.566  -1.523  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1       -0.477   0.558  -0.089  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.277   1.427   0.527  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.744  -2.069  -1.041  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1        1.621   1.147   0.658  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.965  -0.180   2.045  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.747  -0.184   1.201  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        5.834  -0.453  -0.104  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        4.560  -0.376  -0.551  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        4.336  -0.559  -1.968  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        3.657  -0.068   0.442  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        4.416   0.074   1.589  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1        0.427  -3.849  -2.208  0.00  0.00    +0.261 C 
ATOM     18  O   LIG    1       -0.624  -4.300  -2.649  0.00  0.00    -0.269 OA
ATOM     19  N   LIG    1        1.609  -4.523  -2.310  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        1.606  -5.465  -2.671  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        2.423  -4.161  -1.827  0.00  0.00    +0.145 HD
ENDBRANCH   5  17
BRANCH   6  22
ATOM     22  N   LIG    1       -1.830   0.759  -0.267  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.276   0.249  -1.021  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.435   2.054  -0.012  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.933   1.922  -0.045  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1       -4.712   1.569   1.082  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -6.093   1.461   0.944  0.00  0.00    +0.135 A 
ATOM     28  O   LIG    1       -6.663   1.118   2.131  0.00  0.00    -0.463 OA
ATOM     29  C   LIG    1       -5.658   0.999   3.036  0.00  0.00    +0.196 A 
ATOM     30  C   LIG    1       -6.785   1.673  -0.245  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.012   2.008  -1.358  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.443   1.262   2.446  0.00  0.00    +0.050 A 
ATOM     33  C   LIG    1       -4.626   2.123  -1.254  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -3.933   2.432  -2.360  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5