REMARK  Name = BDB054989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.102  -3.222   0.429  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        1.014  -2.061   0.258  0.00  0.00    +0.108 A 
ATOM      3  N   LIG    1        0.623  -0.738   0.059  0.00  0.00    -0.324 N 
ATOM      4  C   LIG    1        1.764  -0.010   0.095  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        2.818  -0.898   0.188  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        4.132  -0.398   0.191  0.00  0.00    +0.143 A 
ATOM      7  N   LIG    1        4.417   0.939   0.120  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        3.339   1.741   0.067  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        3.330   3.106   0.024  0.00  0.00    -0.346 N 
ATOM     10  H   LIG    1        4.164   3.674   0.021  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        2.026   3.558   0.015  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        1.177   2.463   0.042  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.025   1.329   0.056  0.00  0.00    +0.044 A 
ATOM     14  N   LIG    1        2.332  -2.173   0.283  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1       -0.736  -0.256  -0.166  0.00  0.00    +0.089 C 
ATOM     16  C   LIG    1       -1.565  -1.046  -1.191  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1       -2.853  -0.296  -1.552  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -3.440   0.503  -0.384  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1       -3.025  -0.062   0.969  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -1.504  -0.050   1.152  0.00  0.00    +0.025 C 
ENDBRANCH   3  15
TORSDOF 1