REMARK  Name = BDB028363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.865   1.921  -0.530  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -1.263   3.232  -0.686  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -2.546   3.807  -0.349  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.310   4.029  -1.207  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1        0.739   3.219  -1.354  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        0.455   1.897  -0.958  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1        1.309   0.729  -0.957  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.382   0.651  -0.055  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        3.204  -0.482  -0.037  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.970  -1.510  -0.950  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.877  -2.668  -0.981  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.938  -2.626  -0.111  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        5.573  -3.418  -0.113  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        5.170  -1.664   0.821  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        3.697  -3.599  -1.757  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.900  -1.437  -1.851  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        4.344  -0.657   0.900  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        1.067  -0.320  -1.849  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        4.606   0.406   1.975  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        5.258  -0.210   3.137  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        5.953  -0.874   2.787  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        5.764   0.500   3.661  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  26
ATOM     23  C   LIG    1       -3.388  -1.194   0.972  0.00  0.00    +0.163 A 
ATOM     24  C   LIG    1       -3.580  -0.674  -0.323  0.00  0.00    +0.162 A 
ATOM     25  C   LIG    1       -2.745   0.345  -0.791  0.00  0.00    +0.060 A 
ATOM     26  C   LIG    1       -1.716   0.860   0.014  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -1.525   0.336   1.303  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -2.362  -0.686   1.776  0.00  0.00    +0.069 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -4.040  -2.805   2.618  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -4.253  -2.187   1.357  0.00  0.00    -0.491 OA
ENDBRANCH  23  30
BRANCH  24  31
ATOM     31  O   LIG    1       -4.609  -1.225  -1.045  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -4.778  -0.804  -2.392  0.00  0.00    +0.277 C 
ENDBRANCH  24  31
BRANCH  27  33
ATOM     33  C   LIG    1       -0.490   0.828   2.169  0.00  0.00    +0.100 C 
ATOM     34  N   LIG    1        0.348   1.217   2.872  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH   1  26
TORSDOF 7