REMARK  Name = BDB004575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.413   0.124   0.163  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.456   0.257  -0.778  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.610   0.943  -0.352  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.659   1.097  -1.285  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.561   0.576  -2.590  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.428  -0.110  -2.994  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.690   1.425   0.909  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.650   1.221   1.725  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.384  -0.270  -2.093  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        1.517   0.596   1.414  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.937   1.810  -0.972  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.831   1.922  -1.804  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        6.098   2.343   0.272  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.375   2.244   0.979  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.963   2.813   0.497  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1        0.223  -0.534  -0.218  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -0.149  -0.038  -1.026  0.00  0.00    +0.148 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -0.496  -1.819   1.773  0.00  0.00    +0.033 C 
ATOM     19  C   LIG    1       -0.828  -0.678   0.804  0.00  0.00    +0.099 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.164  -0.978   0.110  0.00  0.00    -0.020 A 
ATOM     21  C   LIG    1       -3.388  -0.344   0.487  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1       -4.573  -0.681  -0.221  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -5.797  -0.075   0.109  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -5.883   0.860   1.137  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.744   1.197   1.851  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.535  -1.629  -1.254  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.348  -2.262  -1.599  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.518   0.604   1.533  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1       -2.177  -1.944  -0.922  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 4