REMARK  Name = BDB027524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.101  -1.162   2.971  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.222  -0.731   2.892  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.753   0.128   1.826  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.175  -0.285   1.380  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -3.140  -0.277   2.583  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1       -2.446  -0.497   3.929  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -1.192  -1.349   3.790  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        1.465  -2.093   3.685  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        4.122   0.813   0.659  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        3.304   1.549   1.530  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        2.314   0.916   2.287  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        2.129  -0.464   2.168  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        2.954  -1.210   1.327  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.941  -0.570   0.568  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        5.987   1.034  -1.004  0.00  0.00    +0.217 C 
ATOM     16  N   LIG    1        5.093   1.531  -0.068  0.00  0.00    -0.286 N 
ATOM     17  H   LIG    1        5.136   2.526   0.111  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        6.078  -0.128  -1.381  0.00  0.00    -0.275 OA
BRANCH  15  20
ATOM     19  C   LIG    1        7.884   1.623  -2.571  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        6.886   2.135  -1.547  0.00  0.00    +0.093 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -2.647   0.629   0.339  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -1.928   1.032  -0.255  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.567   0.101  -0.557  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -3.463   0.561  -1.810  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1       -4.326   0.102  -2.727  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1       -5.312  -0.838  -2.417  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -6.209  -1.309  -3.396  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -6.116  -0.833  -4.700  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1       -5.135   0.103  -5.013  0.00  0.00    +0.043 A 
ATOM     30 CL   LIG    1       -5.010   0.699  -6.623  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -5.326  -1.252  -1.097  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -4.252   0.562  -4.035  0.00  0.00    +0.048 A 
ATOM     33  N   LIG    1       -4.469  -0.803  -0.162  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5