REMARK  Name = BDB048907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.836   0.295  -0.371  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1       -0.124  -0.112   0.532  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        0.053  -0.450   1.464  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -1.358   0.037  -0.041  0.00  0.00    +0.086 A 
ATOM      5  C   LIG    1       -1.085   0.542  -1.302  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -2.044   0.832  -2.206  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1       -3.305   0.585  -1.773  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -3.681   0.078  -0.520  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.658  -0.210   0.396  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        0.258   0.701  -1.489  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        5.125   0.318   0.323  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        4.237  -0.307   1.216  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        2.846  -0.331   1.009  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.279   0.287  -0.107  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        3.143   0.922  -1.001  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        4.530   0.943  -0.784  0.00  0.00    +0.024 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.093  -0.682   1.407  0.00  0.00    +0.129 C 
ATOM     18  N   LIG    1        6.505   0.349   0.553  0.00  0.00    -0.336 N 
ATOM     19  C   LIG    1        7.387   0.881  -0.485  0.00  0.00    +0.129 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   8  20
ATOM     20  C   LIG    1       -5.094  -0.144  -0.177  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -5.925  -0.922  -0.999  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1       -7.263  -1.124  -0.667  0.00  0.00    +0.117 A 
ATOM     23  C   LIG    1       -7.807  -0.563   0.482  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1       -6.997   0.211   1.310  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.654   0.418   0.984  0.00  0.00    +0.009 A 
BRANCH  22  26
ATOM     26  O   LIG    1       -8.015  -1.891  -1.507  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1       -8.920  -1.938  -1.160  0.00  0.00    +0.292 HD
ENDBRANCH  22  26
ENDBRANCH   8  20
TORSDOF 4