REMARK  Name = BDB015930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.167   1.725  -0.497  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.422   0.604  -0.041  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.750   0.607   0.162  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.526   1.732  -0.119  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.828   2.832  -0.584  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -0.494   2.862  -0.772  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.768   0.462  -0.675  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.374   0.513  -0.499  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.630   1.698  -0.693  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.342   2.848  -1.077  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.726   2.819  -1.253  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.433   1.634  -1.051  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.259  -3.082  -0.743  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.043  -2.343  -0.503  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.047  -2.920   0.187  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.097  -1.980   0.205  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.485  -0.788  -0.459  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.759  -1.072  -0.912  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.966   1.777   0.036  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.668   2.821   0.604  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.985   2.459   0.566  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -7.113   3.223   1.043  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -6.189   1.247   0.021  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.964   0.840  -0.317  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.362  -0.578   0.652  0.00  0.00    -0.317 N 
ATOM     26  H   LIG    1       -3.007  -0.307   1.395  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.727  -1.857   0.948  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -0.478  -1.788   1.850  0.00  0.00    +0.190 C 
ATOM     29  O   LIG    1        0.246  -2.667   0.940  0.00  0.00    -0.375 OA
ATOM     30  C   LIG    1       -0.741  -2.399  -0.107  0.00  0.00    +0.190 C 
BRANCH  27  31
ATOM     31  C   LIG    1       -2.790  -2.867   1.406  0.00  0.00    +0.186 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -2.293  -4.199   1.555  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -1.336  -4.173   1.739  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  27  31
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7