REMARK  Name = BDB053957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.176   1.803  -0.420  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -0.671   0.511  -0.675  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -1.998   0.178  -0.324  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.785   1.170   0.266  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -4.021   0.624   0.513  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -4.791   1.121   0.938  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -4.067  -0.687   0.113  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -5.112  -1.621   0.175  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -6.525  -1.468   0.670  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -6.940  -2.935   0.846  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -6.144  -3.748  -0.186  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -4.907  -2.920  -0.312  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -3.690  -3.245  -0.848  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -3.204  -4.491  -1.437  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -3.842  -5.516  -1.565  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -1.917  -4.258  -1.804  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -1.324  -4.945  -2.240  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -1.513  -2.989  -1.519  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -0.416  -2.520  -1.740  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -2.654  -2.316  -0.901  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -2.319   2.465   0.520  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.805  -1.004  -0.424  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -1.000   2.767   0.165  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  25
ATOM     24  O   LIG    1        1.788   1.419  -1.663  0.00  0.00    -0.292 OA
ATOM     25  C   LIG    1        1.232   2.110  -0.811  0.00  0.00    +0.164 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.929   3.301  -0.174  0.00  0.00    +0.089 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.446   3.115  -0.185  0.00  0.00    +0.104 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.887   2.073   0.831  0.00  0.00    +0.216 C 
ATOM     29  N   LIG    1        5.183   1.600   0.719  0.00  0.00    -0.297 N 
ATOM     30  C   LIG    1        5.636   0.529   1.609  0.00  0.00    +0.136 C 
ATOM     31  C   LIG    1        6.640  -0.382   0.899  0.00  0.00    +0.179 C 
ATOM     32  O   LIG    1        7.803   0.307   0.413  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        7.580   1.692   0.119  0.00  0.00    +0.179 C 
ATOM     34  C   LIG    1        6.143   2.009  -0.309  0.00  0.00    +0.136 C 
ATOM     35  O   LIG    1        3.134   1.705   1.734  0.00  0.00    -0.276 OA
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 4