REMARK  Name = BDB018273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.127   2.588  -4.768  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        2.079   2.096  -3.401  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        3.259   1.955  -2.690  0.00  0.00    +0.253 A 
ATOM      4  O   LIG    1        4.380   2.193  -3.132  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        3.117   1.457  -1.301  0.00  0.00    +0.094 A 
ATOM      6  C   LIG    1        1.924   1.177  -0.736  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        0.705   1.489  -1.530  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        0.848   1.900  -2.807  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1        1.834   0.606   0.550  0.00  0.00    -0.328 N 
ATOM     10  C   LIG    1        2.940   0.594   1.527  0.00  0.00    +0.119 C 
ATOM     11  C   LIG    1        2.392  -0.177   2.723  0.00  0.00    +0.116 C 
ATOM     12  C   LIG    1        1.529  -1.225   2.040  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1        0.854  -0.429   0.928  0.00  0.00    +0.106 C 
BRANCH  11  14
ATOM     14  C   LIG    1        3.505  -0.751   3.548  0.00  0.00    +0.309 C 
ATOM     15  O   LIG    1        4.654  -0.344   3.604  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        3.110  -1.775   4.328  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        3.915  -2.021   4.832  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   7  18
ATOM     18  C   LIG    1       -0.610   1.465  -0.965  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -1.660   0.667  -1.357  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1       -2.690   0.963  -0.504  0.00  0.00    -0.267 N 
ATOM     21  N   LIG    1       -2.397   1.958   0.364  0.00  0.00    -0.179 NA
ATOM     22  C   LIG    1       -1.122   2.251   0.087  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.997   0.322  -0.467  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.920  -1.044   0.171  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1       -4.108  -2.204  -0.594  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.024  -3.464   0.002  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.752  -3.578   1.364  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.564  -2.432   2.134  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.648  -1.172   1.542  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   7  18
TORSDOF 6