REMARK  Name = BDB025611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.193  -2.020  -0.402  0.00  0.00    +0.197 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -2.347   0.688   0.458  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -1.577  -0.274  -0.344  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -0.958  -1.332   0.349  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1       -1.370  -1.721   1.441  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -2.457  -0.715  -1.426  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -3.892  -0.355  -0.978  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -3.748   0.094   0.478  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1       -2.099   2.247   3.944  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -2.580   1.684   2.708  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1       -3.527   1.899   2.427  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1       -1.704   1.145   1.787  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1       -0.486   1.126   1.970  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1       -4.395   0.751  -1.729  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -4.489   0.465  -2.655  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        1.064  -1.054  -1.054  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        1.374  -1.208  -2.357  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        2.143  -0.187  -2.708  0.00  0.00    -0.129 NA
ATOM     19  C   LIG    1        2.313   0.623  -1.614  0.00  0.00    +0.115 A 
ATOM     20  C   LIG    1        1.639   0.077  -0.546  0.00  0.00    +0.139 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.081   1.843  -1.631  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        3.803   2.229  -2.745  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1        4.539   3.362  -2.821  0.00  0.00    -0.243 NA
ATOM     24  C   LIG    1        4.538   4.128  -1.720  0.00  0.00    +0.221 A 
ATOM     25  N   LIG    1        3.880   3.868  -0.581  0.00  0.00    -0.243 NA
ATOM     26  C   LIG    1        3.161   2.721  -0.567  0.00  0.00    +0.124 A 
ENDBRANCH  19  21
ENDBRANCH   1  16
BRANCH   1  27
ATOM     27  C   LIG    1        0.943  -3.063   0.472  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1        1.774  -2.453   1.605  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1        1.830  -3.978  -0.380  0.00  0.00    +0.010 C 
ENDBRANCH   1  27
TORSDOF 6