REMARK  Name = BDB048856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.241  -1.276  -1.825  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.978  -1.426  -0.965  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1       -0.404  -0.005  -0.890  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1       -0.626   0.502  -2.317  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1       -2.022  -0.009  -2.673  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  14
ATOM      6  O   LIG    1       -6.947  -1.424  -1.870  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -5.936  -1.239  -1.203  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -5.985  -0.896   0.227  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1       -4.766  -0.706   0.882  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1       -4.782  -0.379   2.240  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -5.995  -0.245   2.924  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -7.204  -0.438   2.255  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -3.528  -0.830   0.230  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1       -3.528  -1.147  -1.024  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1       -7.204  -0.765   0.899  0.00  0.00    +0.015 A 
ATOM     16  N   LIG    1       -4.680  -1.339  -1.745  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -4.647  -1.578  -2.725  0.00  0.00    +0.170 HD
ENDBRANCH   1  14
BRANCH   3  18
ATOM     18  N   LIG    1        0.953   0.088  -0.333  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1        2.007  -0.538  -1.141  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        3.345  -0.534  -0.397  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1        3.750   0.894  -0.008  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1        2.611   1.565   0.768  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1        1.297   1.482  -0.010  0.00  0.00    +0.085 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.064   0.932   0.752  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        6.163   1.618   0.212  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.380   1.665   0.895  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.516   1.027   2.125  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.435   0.341   2.674  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.217   0.294   1.992  0.00  0.00    +0.004 A 
ENDBRANCH  21  24
ENDBRANCH   3  18
TORSDOF 3