REMARK  Name = BDB045476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.432  -0.687  -0.338  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1        1.198  -0.284  -0.211  0.00  0.00    +0.108 C 
ATOM      3  C   LIG    1        0.113  -1.207  -0.553  0.00  0.00    +0.261 C 
ATOM      4  O   LIG    1        0.353  -2.322  -1.025  0.00  0.00    -0.269 OA
ATOM      5  N   LIG    1       -1.184  -0.755  -0.319  0.00  0.00    -0.206 N 
ATOM      6  C   LIG    1       -1.468   0.513   0.199  0.00  0.00    +0.320 C 
ATOM      7  O   LIG    1       -2.646   0.855   0.400  0.00  0.00    -0.251 OA
ATOM      8  N   LIG    1       -0.419   1.395   0.478  0.00  0.00    -0.206 N 
ATOM      9  C   LIG    1        0.922   1.072   0.273  0.00  0.00    +0.261 C 
ATOM     10  O   LIG    1        1.835   1.873   0.476  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        6.375  -2.147  -0.691  0.00  0.00    +0.168 A 
ATOM     12  C   LIG    1        6.168  -0.974   0.093  0.00  0.00    +0.221 A 
ATOM     13  O   LIG    1        7.103  -0.350   0.701  0.00  0.00    -0.284 OA
ATOM     14  C   LIG    1        4.828  -0.528   0.164  0.00  0.00    +0.063 A 
ATOM     15  C   LIG    1        3.766  -1.181  -0.470  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        4.005  -2.326  -1.217  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        5.306  -2.809  -1.330  0.00  0.00    +0.050 A 
BRANCH  11  19
ATOM     18  C   LIG    1        7.987  -3.671  -1.613  0.00  0.00    +0.253 C 
ATOM     19  O   LIG    1        7.694  -2.578  -0.758  0.00  0.00    -0.469 OA
ENDBRANCH  11  19
ENDBRANCH   1  15
BRANCH   5  20
ATOM     20  C   LIG    1       -2.230  -1.599  -0.613  0.00  0.00    +0.128 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.308  -2.481  -0.924  0.00  0.00    -0.019 A 
ATOM     22  C   LIG    1       -4.626  -2.072  -0.719  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -5.678  -2.937  -1.026  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.411  -4.208  -1.536  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.093  -4.618  -1.738  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.040  -3.754  -1.432  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   5  20
BRANCH   8  27
ATOM     27  C   LIG    1       -0.720   2.646   0.966  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.018   3.944   1.482  0.00  0.00    -0.019 A 
ATOM     29  C   LIG    1        0.020   4.828   1.780  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1       -0.270   6.098   2.283  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.596   6.481   2.487  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.633   5.595   2.193  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.344   4.325   1.690  0.00  0.00    +0.006 A 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 6