REMARK  Name = BDB008556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.560   0.946  -1.183  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.248   2.231  -0.943  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        2.261  -1.658  -0.753  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        1.581  -0.436  -0.762  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.227  -0.364  -1.140  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.420  -1.553  -1.524  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.244  -2.785  -1.506  0.00  0.00    -0.047 A 
ATOM      8  C   LIG    1       -0.460  -4.033  -1.950  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        1.589  -2.822  -1.129  0.00  0.00    +0.049 A 
BRANCH   3  10
ATOM     10  O   LIG    1        3.570  -1.848  -0.402  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.315  -0.700   0.002  0.00  0.00    +0.231 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.727  -1.157   0.347  0.00  0.00    +0.069 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.585   0.004   0.832  0.00  0.00    +0.163 C 
BRANCH  13  15
ATOM     14  C   LIG    1        8.172  -1.125   2.203  0.00  0.00    +0.193 C 
ATOM     15  O   LIG    1        7.947  -0.381   1.013  0.00  0.00    -0.383 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  N   LIG    1       -1.770   0.912  -0.320  0.00  0.00    -0.289 N 
ATOM     17  C   LIG    1       -3.019   0.815  -0.958  0.00  0.00    +0.246 C 
ATOM     18  O   LIG    1       -3.112   0.616  -2.174  0.00  0.00    -0.273 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -4.289   1.020  -0.102  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1       -5.416   0.338  -0.684  0.00  0.00    -0.365 OA
ATOM     21  C   LIG    1       -6.600   0.573   0.087  0.00  0.00    +0.176 C 
ATOM     22  C   LIG    1       -6.920   2.072   0.171  0.00  0.00    +0.109 C 
ATOM     23  N   LIG    1       -5.799   2.840   0.743  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -6.005   3.836   0.660  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -4.576   2.535  -0.029  0.00  0.00    +0.122 C 
ENDBRANCH  17  19
BRANCH  16  26
ATOM     26  C   LIG    1       -1.618   1.154   1.101  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1       -0.590   0.468   1.969  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -2.033   0.127   2.127  0.00  0.00    +0.024 C 
ENDBRANCH  16  26
ENDBRANCH   1  16
TORSDOF 9