REMARK  Name = BDB047643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.503  -1.505  -0.619  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.598  -0.946   0.060  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.891  -1.010  -0.502  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        3.204  -0.583  -0.154  0.00  0.00    +0.103 A 
ATOM      5  N   LIG    1        4.096  -0.866  -1.113  0.00  0.00    -0.170 NA
ATOM      6  N   LIG    1        3.376  -1.511  -2.045  0.00  0.00    -0.266 N 
ATOM      7  C   LIG    1        4.031  -1.993  -3.237  0.00  0.00    +0.173 C 
ATOM      8  C   LIG    1        2.041  -1.623  -1.746  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        0.969  -2.191  -2.448  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -0.298  -2.123  -1.860  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  24
ATOM     11  C   LIG    1       -3.622   2.011  -1.986  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.677   2.171  -0.798  0.00  0.00    +0.076 C 
ATOM     13  N   LIG    1       -1.987   0.936  -0.475  0.00  0.00    -0.339 N 
ATOM     14  H   LIG    1       -1.275   0.708  -1.167  0.00  0.00    +0.146 HD
ATOM     15  C   LIG    1       -2.603  -0.209   0.044  0.00  0.00    +0.057 A 
ATOM     16  C   LIG    1       -3.855  -0.240   0.702  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -4.371  -1.470   1.164  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -3.660  -2.657   1.046  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -2.404  -2.636   0.465  0.00  0.00    +0.010 A 
ATOM     20  N   LIG    1       -4.715   0.847   0.957  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -5.628   0.625   1.336  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -4.571   2.188   0.838  0.00  0.00    +0.219 C 
ATOM     23  O   LIG    1       -5.534   2.905   1.128  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1       -1.857  -1.436  -0.028  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.269   2.797   0.440  0.00  0.00    +0.118 C 
ENDBRANCH   1  24
BRANCH   4  26
ATOM     26  C   LIG    1        3.607   0.106   1.068  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        4.724   0.889   1.262  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        4.680   1.294   2.562  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        5.633   2.137   3.241  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        3.615   0.820   3.237  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        2.970   0.084   2.324  0.00  0.00    +0.144 A 
ENDBRANCH   4  26
TORSDOF 2