REMARK  Name = BDB007308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.243   2.116   1.785  0.00  0.00    +0.171 C 
ATOM      2  N   LIG    1        1.177   1.357   0.938  0.00  0.00    -0.283 N 
ATOM      3  N   LIG    1        1.298   1.874  -0.409  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1        2.631   2.204  -0.693  0.00  0.00    +0.276 A 
ATOM      5  O   LIG    1        3.089   2.522  -1.777  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1        3.415   2.002   0.525  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        4.755   2.198   0.838  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        5.159   1.823   2.136  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.258   1.275   3.061  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        2.921   1.095   2.716  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        2.502   1.470   1.446  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.500   1.246  -1.474  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -1.016   1.384  -1.304  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1       -1.634   0.105  -0.741  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -1.438  -1.062  -1.613  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -0.198  -0.985  -2.408  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.920  -0.215  -1.713  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -1.528  -2.346  -0.893  0.00  0.00    +0.088 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.886  -2.750  -0.271  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1       -3.211  -2.085   1.074  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -4.459  -2.714   1.706  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1       -5.568  -2.936   0.720  0.00  0.00    -0.031 C 
ATOM     23  C   LIG    1       -5.394  -2.866  -0.609  0.00  0.00    -0.031 C 
ATOM     24  C   LIG    1       -4.062  -2.592  -1.253  0.00  0.00    +0.031 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  25
ATOM     25  C   LIG    1        5.816   2.769  -0.037  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1        6.984   2.809   0.342  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        5.502   3.266  -1.263  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        4.602   3.118  -1.717  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        6.266   3.558  -1.855  0.00  0.00    +0.145 HD
ENDBRANCH   7  25
TORSDOF 4