REMARK  Name = BDB018499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.011   0.432  -0.691  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1       -1.006   1.016   0.058  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1       -1.812   0.001   0.552  0.00  0.00    -0.239 N 
ATOM      4  N   LIG    1       -1.356  -1.209   0.133  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1       -0.281  -0.941  -0.614  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        2.470   0.746  -1.194  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1        1.048   1.107  -1.385  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.753   2.078  -2.274  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        1.716   2.725  -3.026  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        1.292   3.736  -3.982  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        3.061   2.393  -2.945  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1        3.955   2.895  -3.620  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        3.406   1.354  -1.949  0.00  0.00    +0.079 A 
BRANCH   6  18
ATOM     14  C   LIG    1        4.484  -3.151   1.108  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1        3.778  -1.929   0.808  0.00  0.00    -0.274 N 
ATOM     16  N   LIG    1        3.163  -1.260   1.800  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        2.623  -0.205   1.185  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1        2.881  -0.206  -0.202  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        3.642  -1.334  -0.414  0.00  0.00    +0.116 A 
ENDBRANCH   6  18
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  C   LIG    1       -3.008   0.142   1.326  0.00  0.00    +0.076 A 
ATOM     21  C   LIG    1       -3.598  -0.885   2.110  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.803  -0.565   2.791  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1       -5.406   0.690   2.723  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.818   1.684   1.965  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.636   1.415   1.276  0.00  0.00    +0.028 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -3.106  -2.249   2.392  0.00  0.00    +0.181 A 
ATOM     27  N   LIG    1       -2.179  -2.978   1.703  0.00  0.00    -0.239 N 
ATOM     28  H   LIG    1       -1.643  -2.700   0.888  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -2.017  -4.195   2.238  0.00  0.00    -0.046 NA
ATOM     30  N   LIG    1       -2.844  -4.222   3.268  0.00  0.00    -0.023 NA
ATOM     31  N   LIG    1       -3.525  -3.036   3.376  0.00  0.00    -0.108 NA
ENDBRANCH  21  26
ENDBRANCH   3  20
TORSDOF 4