REMARK  Name = BDB012948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.293  -1.493   0.768  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -0.912  -1.454   0.875  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.022  -0.358   0.507  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.341  -0.747   1.104  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.268  -2.272   1.163  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.185  -2.521   1.531  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -2.933  -2.432   1.247  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.840   1.469  -1.073  0.00  0.00    +0.150 C 
ATOM      9  N   LIG    1       -4.566   0.888  -0.736  0.00  0.00    -0.339 N 
ATOM     10  C   LIG    1       -4.356  -0.236   0.005  0.00  0.00    +0.119 A 
ATOM     11  C   LIG    1       -2.981  -0.395   0.068  0.00  0.00    +0.143 A 
ATOM     12  N   LIG    1       -2.374   0.625  -0.650  0.00  0.00    -0.231 NA
ATOM     13  C   LIG    1       -3.350   1.375  -1.110  0.00  0.00    +0.199 A 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  N   LIG    1        2.475  -0.274   0.336  0.00  0.00    -0.311 N 
ATOM     15  H   LIG    1        2.788  -0.812  -0.461  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        2.876   1.037   0.414  0.00  0.00    +0.216 C 
ATOM     17  O   LIG    1        2.418   1.866   1.186  0.00  0.00    -0.276 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.916   1.415  -0.575  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1        5.245   1.944  -0.088  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        5.176   0.600  -0.749  0.00  0.00    +0.013 C 
ENDBRANCH  16  18
ENDBRANCH   4  14
TORSDOF 3