REMARK  Name = BDB007309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.486  -0.139  -1.400  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -4.243   0.011  -0.802  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -3.206   0.727  -1.416  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1       -2.013   0.767  -0.654  0.00  0.00    -0.294 N 
ATOM      5  H   LIG    1       -1.256   0.324  -1.182  0.00  0.00    +0.187 HD
ATOM      6  N   LIG    1       -2.364   0.028   0.508  0.00  0.00    -0.248 N 
ATOM      7  C   LIG    1       -3.373   1.313  -2.659  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.609   1.181  -3.286  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -3.647  -0.496   0.438  0.00  0.00    +0.276 A 
ATOM     10  O   LIG    1       -4.175  -1.261   1.225  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -5.649   0.468  -2.664  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.333  -0.404   1.446  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -0.616  -1.660   0.937  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1        0.822  -1.708   1.438  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1        1.602  -0.585   0.902  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1        0.909   0.711   0.983  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.357   0.712   1.837  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1        2.959  -0.558   1.472  0.00  0.00    +0.088 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.057  -0.198   0.444  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1        3.933   1.209  -0.158  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1        5.043   1.492  -1.177  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        6.395   1.022  -0.733  0.00  0.00    -0.031 C 
ATOM     23  C   LIG    1        6.576   0.197   0.307  0.00  0.00    -0.031 C 
ATOM     24  C   LIG    1        5.441  -0.363   1.113  0.00  0.00    +0.031 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   1  28
ATOM     25  N   LIG    1       -6.631  -1.384   0.398  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -7.425  -1.932   0.699  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -5.787  -1.446   0.965  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -6.666  -0.865  -0.858  0.00  0.00    +0.242 C 
ATOM     29  O   LIG    1       -7.684  -0.995  -1.533  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 4