REMARK  Name = BDB008545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.700   0.388  -0.379  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1       -1.846   0.111  -1.139  0.00  0.00    +0.246 C 
ATOM      3  O   LIG    1       -1.897   0.357  -2.349  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -3.057  -0.519  -0.426  0.00  0.00    +0.217 C 
ATOM      5  O   LIG    1       -3.402  -1.749  -1.096  0.00  0.00    -0.365 OA
ATOM      6  C   LIG    1       -4.799  -1.862  -1.389  0.00  0.00    +0.176 C 
ATOM      7  C   LIG    1       -5.658  -1.407  -0.200  0.00  0.00    +0.109 C 
ATOM      8  N   LIG    1       -5.460   0.009   0.159  0.00  0.00    -0.311 NA
ATOM      9  H   LIG    1       -5.440   0.089   1.175  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -4.199   0.521  -0.411  0.00  0.00    +0.122 C 
ENDBRANCH   2   4
BRANCH   1  11
ATOM     11  C   LIG    1       -0.619   0.164   1.048  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -1.458   0.968   2.015  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1        0.027   1.120   2.019  0.00  0.00    +0.024 C 
ENDBRANCH   1  11
BRANCH   1  15
ATOM     14  C   LIG    1        0.535   2.323  -1.322  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        0.514   0.801  -1.123  0.00  0.00    +0.104 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.799   0.179  -0.580  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1        2.810   0.923   0.051  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        3.974   0.308   0.546  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        4.138  -1.087   0.404  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        5.300  -1.700   0.899  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        6.291  -0.945   1.528  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        6.132   0.430   1.670  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        3.134  -1.831  -0.230  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        4.981   1.053   1.182  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        1.983  -1.207  -0.715  0.00  0.00    +0.006 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4