REMARK  Name = BDB027547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.575  -0.975   0.453  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.181   0.180   0.531  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.619   0.104   0.755  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.175   1.435   0.221  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1        0.996   2.387   0.443  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.211   1.520   0.121  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.103  -2.101   0.581  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.766  -0.704  -0.395  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -3.907  -1.439  -1.226  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.540  -1.520  -0.947  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -2.019  -0.854   0.163  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -2.868  -0.147   1.016  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -4.236  -0.065   0.730  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.154   0.010  -0.111  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1       -6.130  -0.673  -0.749  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1       -6.386  -1.205  -1.571  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -7.045   0.733   0.872  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -9.637   0.492  -0.114  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -8.491  -0.235  -0.794  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1        3.356   1.927   0.930  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        3.204   1.946   1.940  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.488   1.123   0.791  0.00  0.00    +0.120 A 
ATOM     23  N   LIG    1        4.980   0.627   1.939  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        6.076  -0.164   1.855  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        6.728  -0.493   0.667  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.204   0.046  -0.520  0.00  0.00    -0.013 A 
ATOM     27  C   LIG    1        6.832  -0.251  -1.741  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        7.960  -1.073  -1.780  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.476  -1.609  -0.602  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.865  -1.321   0.619  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1        5.070   0.867  -0.445  0.00  0.00    +0.052 A 
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5