REMARK  Name = BDB016192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.456  -0.218   1.331  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.767  -0.247   0.366  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -1.138  -1.040   2.205  0.00  0.00    +0.252 C 
ATOM      4  O   LIG    1       -0.898  -1.161   3.403  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.285  -1.830   1.626  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -2.477  -2.080   0.244  0.00  0.00    +0.154 A 
ATOM      7  O   LIG    1       -1.543  -1.537  -0.596  0.00  0.00    -0.486 OA
ATOM      8  C   LIG    1       -1.213  -2.320  -1.744  0.00  0.00    +0.179 C 
ATOM      9  C   LIG    1       -2.195  -1.960  -2.833  0.00  0.00    +0.140 C 
ATOM     10  C   LIG    1       -3.437  -2.787  -2.718  0.00  0.00    +0.221 C 
ATOM     11  N   LIG    1       -3.975  -3.101  -1.512  0.00  0.00    -0.282 N 
ATOM     12  H   LIG    1       -4.824  -3.642  -1.639  0.00  0.00    +0.155 HD
ATOM     13  O   LIG    1       -4.026  -3.168  -3.733  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.205  -1.917  -2.142  0.00  0.00    +0.052 C 
ATOM     15  C   LIG    1       -3.600  -2.815  -0.184  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1       -4.485  -3.328   0.783  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -4.283  -3.110   2.142  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -3.191  -2.362   2.560  0.00  0.00    +0.017 A 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     19  C   LIG    1        2.275   2.188   0.674  0.00  0.00    +0.123 A 
ATOM     20  C   LIG    1        1.179   1.333   0.515  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        0.643   0.622   1.597  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        1.218   0.784   2.856  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        2.308   1.642   3.025  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        2.836   2.344   1.939  0.00  0.00    +0.046 A 
BRANCH  19  25
ATOM     25  O   LIG    1        2.678   2.808  -0.476  0.00  0.00    -0.489 OA
BRANCH  25  27
ATOM     26  C   LIG    1        4.441   3.548  -1.882  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1        3.872   3.596  -0.465  0.00  0.00    +0.167 C 
ATOM     28  C   LIG    1        3.541   5.037  -0.086  0.00  0.00    +0.051 C 
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH   1  21
TORSDOF 4