REMARK  Name = BDB014813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.399   0.285  -0.001  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        1.237   1.402   0.142  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        2.633   1.276   0.131  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        3.243   0.025  -0.025  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        2.408  -1.090  -0.168  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.011  -0.961  -0.155  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.708  -0.112  -0.040  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        5.363  -0.773  -1.092  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        6.755  -0.906  -1.106  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        7.525  -0.373  -0.068  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        6.889   0.276   0.995  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.495   0.406   1.003  0.00  0.00    +0.009 A 
BRANCH  10  13
ATOM     13  C   LIG    1        9.002  -0.539  -0.127  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1        9.528  -1.401  -0.820  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        9.765   0.337   0.595  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       10.763   0.284   0.431  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        9.399   1.217   0.928  0.00  0.00    +0.145 HD
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  N   LIG    1       -1.000   0.481   0.020  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1       -1.229   1.458   0.151  0.00  0.00    +0.154 HD
BRANCH  18  25
ATOM     20  C   LIG    1       -7.564   2.622  -0.102  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1       -6.059   2.597  -0.026  0.00  0.00    +0.213 C 
ATOM     22  N   LIG    1       -5.443   1.355   0.058  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -3.977   1.380   0.224  0.00  0.00    +0.148 C 
ATOM     24  C   LIG    1       -3.388   0.043  -0.047  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1       -2.035  -0.384  -0.134  0.00  0.00    +0.150 A 
ATOM     26  N   LIG    1       -1.977  -1.699  -0.376  0.00  0.00    -0.156 NA
ATOM     27  N   LIG    1       -3.255  -2.102  -0.466  0.00  0.00    -0.269 N 
ATOM     28  C   LIG    1       -3.532  -3.488  -0.753  0.00  0.00    +0.172 C 
ATOM     29  C   LIG    1       -4.139  -1.095  -0.252  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1       -5.618  -1.144  -0.254  0.00  0.00    +0.074 C 
ATOM     31  C   LIG    1       -6.153   0.118   0.457  0.00  0.00    +0.114 C 
ATOM     32  O   LIG    1       -5.421   3.650  -0.050  0.00  0.00    -0.276 OA
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 4