REMARK  Name = BDB052659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.584   1.015  -0.506  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        0.852   2.390  -0.229  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1        2.093   3.158  -0.189  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1        1.940   4.662   0.039  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.735   5.004   0.930  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1       -0.579   4.418   0.389  0.00  0.00    +0.054 C 
ATOM      7  O   LIG    1        3.195   2.646  -0.375  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -0.357   2.990   0.044  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1       -1.341   2.048  -0.053  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -2.329   2.229   0.104  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -0.795   0.828  -0.379  0.00  0.00    +0.044 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -1.591  -0.345  -0.535  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1       -2.917  -0.510  -0.396  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -3.587  -1.811  -0.597  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -4.948  -1.596  -0.364  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -5.892  -2.599  -0.461  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -5.439  -3.873  -0.809  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.073  -4.109  -1.048  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1       -5.183  -0.267  -0.035  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1       -6.082   0.138   0.175  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1       -3.135  -3.074  -0.943  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -4.009   0.468  -0.031  0.00  0.00    +0.249 C 
ATOM     23  O   LIG    1       -3.909   1.655   0.218  0.00  0.00    -0.270 OA
ENDBRANCH  11  12
BRANCH   1  24
ATOM     24  C   LIG    1        1.613  -0.020  -0.860  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.273  -0.616   0.378  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.276  -1.672  -0.004  0.00  0.00    +0.307 C 
ATOM     27  O   LIG    1        3.292  -2.282  -1.065  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        4.137  -1.886   1.032  0.00  0.00    -0.465 OA
BRANCH  28  30
ATOM     29  C   LIG    1        6.024  -2.990   1.995  0.00  0.00    +0.048 C 
ATOM     30  C   LIG    1        5.135  -2.881   0.772  0.00  0.00    +0.229 C 
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 6