REMARK  Name = BDB027527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.851   0.355  -1.288  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.046   0.935  -0.412  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.437   1.125  -0.806  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.119   1.730   0.430  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.976   2.546   1.046  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.261   1.689   0.796  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.541  -0.013  -2.418  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.950  -0.128  -0.121  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -3.928  -0.595   0.710  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.586  -0.444   0.340  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -2.260   0.193  -0.859  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.274   0.636  -1.710  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -4.612   0.480  -1.338  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.884  -0.734   1.338  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1       -6.322  -0.248   0.179  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1       -6.960   0.110  -0.519  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -6.305  -1.080   2.360  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -9.135  -1.007   0.255  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -8.374  -0.756   1.329  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1        2.551   0.714   1.390  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        1.849   0.020   1.631  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.664  -0.022   1.010  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1        4.632   0.538   0.272  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1        5.681  -0.220  -0.072  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1        5.788  -1.561   0.303  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        6.900  -2.341  -0.072  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1        7.913  -1.766  -0.832  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        7.823  -0.432  -1.215  0.00  0.00    +0.022 A 
ATOM     29 CL   LIG    1        9.276  -2.704  -1.297  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        4.731  -2.041   1.056  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        6.710   0.325  -0.832  0.00  0.00    +0.030 A 
ATOM     32  N   LIG    1        3.668  -1.297   1.414  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5