REMARK  Name = BDB007706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.304  -1.370  -2.190  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -1.018  -1.288  -1.812  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -1.289  -0.563  -1.151  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.684  -1.928  -3.212  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.425   0.301  -0.999  0.00  0.00    +0.215 A 
ATOM      6  N   LIG    1        3.195   0.546   0.307  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1        2.005   0.151   0.806  0.00  0.00    +0.115 A 
ATOM      8  C   LIG    1        1.025  -0.473   0.056  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.287  -0.702  -1.295  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        2.516  -0.320  -1.833  0.00  0.00    +0.080 A 
BRANCH   5  11
ATOM     11  O   LIG    1        4.627   0.663  -1.570  0.00  0.00    -0.475 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.534   1.351  -0.698  0.00  0.00    +0.246 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.387   0.354   0.107  0.00  0.00    +0.125 C 
BRANCH  13  15
ATOM     14  C   LIG    1        8.500   1.568   0.156  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1        7.423   0.980   0.955  0.00  0.00    -0.305 NA
ATOM     16  C   LIG    1        7.980  -0.017   1.874  0.00  0.00    +0.104 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  17
ATOM     17  C   LIG    1       -2.079  -1.713  -2.707  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.448  -1.800  -2.012  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -4.414  -2.267  -2.963  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -5.236  -2.451  -2.477  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -3.917  -0.433  -1.449  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.074   0.110  -0.359  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.317  -0.571   0.931  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -4.600  -0.185   1.634  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -5.237   1.039   1.357  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -6.404   1.388   2.048  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.926   0.540   3.024  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.288  -0.664   3.314  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.705   1.945   0.275  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.129  -1.024   2.626  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -3.288   1.560  -0.176  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 10