REMARK  Name = BDB017838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.325  -2.065   0.770  0.00  0.00    +0.107 C 
ATOM      2  C   LIG    1       -1.069  -1.903   0.193  0.00  0.00    -0.005 A 
ATOM      3  C   LIG    1       -1.873  -3.015  -0.141  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -3.150  -2.758  -0.665  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -3.630  -1.453  -0.850  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -2.856  -0.353  -0.493  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -1.402  -4.360   0.106  0.00  0.00    -0.271 N 
ATOM      8  C   LIG    1       -2.088  -5.503  -0.335  0.00  0.00    +0.217 C 
ATOM      9  O   LIG    1       -2.944  -5.527  -1.221  0.00  0.00    -0.276 OA
ATOM     10  C   LIG    1       -1.719  -6.812   0.329  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -0.179  -4.482   0.906  0.00  0.00    +0.116 C 
ATOM     12  C   LIG    1       -1.586  -0.594   0.041  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        0.865  -3.463   0.508  0.00  0.00    +0.046 C 
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1       -3.316   1.018  -0.658  0.00  0.00    +0.089 A 
ATOM     15  N   LIG    1       -2.480   2.118  -0.470  0.00  0.00    -0.232 NA
ATOM     16  C   LIG    1       -3.249   3.148  -0.701  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1       -3.116   4.617  -0.694  0.00  0.00    +0.076 C 
ATOM     18  C   LIG    1       -4.602   5.061  -0.697  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1       -5.400   3.877  -1.277  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1       -4.510   2.766  -1.028  0.00  0.00    -0.334 N 
ATOM     21  C   LIG    1       -4.599   1.425  -1.006  0.00  0.00    +0.115 A 
ENDBRANCH   6  14
BRANCH   1  23
ATOM     22  C   LIG    1        2.409  -0.735   0.900  0.00  0.00    +0.245 C 
ATOM     23  N   LIG    1        1.258  -1.084   0.229  0.00  0.00    -0.304 N 
ATOM     24  H   LIG    1        1.001  -0.611  -0.627  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1        2.719  -1.210   1.988  0.00  0.00    -0.270 OA
BRANCH  22  31
ATOM     26  C   LIG    1        4.940   2.042   0.531  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        4.962   2.233  -0.863  0.00  0.00    -0.009 A 
ATOM     28  C   LIG    1        5.857   3.272  -1.482  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1        4.151   1.437  -1.685  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        3.315   0.466  -1.132  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        3.278   0.287   0.254  0.00  0.00    +0.040 A 
ATOM     32  C   LIG    1        4.100   1.069   1.079  0.00  0.00    +0.059 A 
BRANCH  26  34
ATOM     33  C   LIG    1        5.803   2.671   2.664  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        5.773   2.856   1.254  0.00  0.00    -0.495 OA
ENDBRANCH  26  34
ENDBRANCH  22  31
ENDBRANCH   1  23
TORSDOF 4