REMARK  Name = BDB015842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.332   2.179   0.041  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.492   1.128  -0.022  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.835   1.361   0.018  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.347   2.658   0.097  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.398   3.664   0.156  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.933   3.459   0.138  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.652   0.301  -0.132  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.277   0.585  -0.099  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.783   1.903   0.004  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.731   2.940   0.070  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        5.102   2.677   0.037  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.560   1.364  -0.064  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.366  -3.841   0.261  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.322  -2.897  -0.053  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.228  -3.316  -0.711  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.491  -2.208  -0.827  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.108  -1.074  -0.244  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.299  -1.566   0.251  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.763   2.972   0.097  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.361   3.943   0.875  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.694   3.905   0.576  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.736   4.729   1.138  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.008   2.978  -0.345  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.834   2.414  -0.639  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.714   0.258  -0.047  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.393   0.345   0.707  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.073  -1.056  -0.084  0.00  0.00    +0.107 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.098  -2.192  -0.240  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -3.034  -2.322   0.967  0.00  0.00    +0.086 C 
ATOM     30  N   LIG    1       -3.905  -3.499   0.907  0.00  0.00    -0.316 NA
ATOM     31  H   LIG    1       -3.494  -4.272   1.429  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -4.212  -3.951  -0.452  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -4.250  -2.810  -1.461  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1       -2.903  -2.089  -1.549  0.00  0.00    +0.007 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6