REMARK  Name = BDB057438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.874  -1.034   0.332  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -0.474  -0.891   0.296  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.004   0.418   0.183  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.371   0.635   0.150  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        2.324  -0.399   0.206  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.837  -1.702   0.317  0.00  0.00    +0.024 A 
ATOM      7  N   LIG    1       -0.820   1.472   0.101  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1       -2.143   1.243   0.120  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.463  -1.951   0.356  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -2.696   0.026   0.224  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1        3.694  -0.081   0.170  0.00  0.00    -0.330 N 
ATOM     12  C   LIG    1        4.640  -1.085   0.669  0.00  0.00    +0.106 C 
ATOM     13  C   LIG    1        6.007  -0.441   0.894  0.00  0.00    +0.033 C 
ATOM     14  C   LIG    1        6.510   0.242  -0.379  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1        5.468   1.248  -0.882  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        4.109   0.585  -1.080  0.00  0.00    +0.106 C 
BRANCH  14  17
ATOM     17  C   LIG    1        7.837   0.928  -0.119  0.00  0.00    +0.308 C 
ATOM     18  O   LIG    1        8.000   2.134  -0.033  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1        8.866   0.057   0.003  0.00  0.00    -0.480 OA
ATOM     20  H   LIG    1        8.618  -0.880  -0.103  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   5  11
BRANCH   8  21
ATOM     21  C   LIG    1       -3.049   2.405   0.019  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -2.555   3.712  -0.161  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -3.413   4.813  -0.258  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.790   4.633  -0.177  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.309   3.354   0.002  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.449   2.256   0.099  0.00  0.00    +0.011 A 
ENDBRANCH   8  21
BRANCH   1  27
ATOM     27  N   LIG    1       -2.433  -2.328   0.459  0.00  0.00    -0.282 N 
ATOM     28  H   LIG    1       -1.969  -2.850   1.192  0.00  0.00    +0.155 HD
BRANCH  27  34
ATOM     29  C   LIG    1       -7.133  -2.791  -1.094  0.00  0.00    +0.065 C 
ATOM     30  C   LIG    1       -5.797  -2.897  -0.473  0.00  0.00    +0.035 A 
ATOM     31  N   LIG    1       -5.466  -3.894   0.400  0.00  0.00    -0.280 N 
ATOM     32  H   LIG    1       -6.050  -4.655   0.730  0.00  0.00    +0.189 HD
ATOM     33  N   LIG    1       -4.202  -3.826   0.846  0.00  0.00    -0.158 NA
ATOM     34  C   LIG    1       -3.706  -2.731   0.265  0.00  0.00    +0.146 A 
ATOM     35  C   LIG    1       -4.661  -2.126  -0.585  0.00  0.00    +0.068 A 
ENDBRANCH  27  34
ENDBRANCH   1  27
TORSDOF 6