REMARK  Name = BDB027555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.125   2.282   0.719  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.035   1.448   0.566  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.308   1.938   0.830  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.235   0.762   0.486  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.355  -0.434   0.863  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.034   0.000   0.416  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.026   3.453   1.075  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.077   0.770   0.018  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        4.086   0.610  -0.953  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.792   1.099  -0.737  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.478   1.738   0.464  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.468   1.928   1.430  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.760   1.440   1.208  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.941  -0.400  -1.187  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1        6.402   0.308  -0.124  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        7.027   0.513   0.646  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.348  -0.767  -2.194  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.042  -1.463  -2.111  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.417  -0.694  -0.961  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -3.464   0.802   1.262  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -3.835   1.728   1.454  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.530   0.091   0.730  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -5.738   0.625   0.951  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -6.812  -0.019   0.474  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -6.706  -1.212  -0.246  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -7.848  -1.873  -0.739  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -9.110  -1.332  -0.508  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -9.219  -0.145   0.208  0.00  0.00    +0.043 A 
ATOM     29 CL   LIG    1      -10.774   0.533   0.499  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -5.413  -1.671  -0.426  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -8.080   0.501   0.692  0.00  0.00    +0.048 A 
ATOM     32  N   LIG    1       -4.322  -1.039   0.045  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5