REMARK  Name = BDB027546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.567  -0.740  -0.019  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.270   0.352  -0.132  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.715   0.189  -0.054  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.283   1.599  -0.276  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.173   2.482   0.303  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.098   1.760  -0.119  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.161  -1.883   0.171  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.805  -0.158  -0.276  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -3.971   0.250  -1.328  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.586   0.068  -1.255  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -2.026  -0.517  -0.118  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -2.847  -0.952   0.923  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -4.232  -0.763   0.846  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.199  -0.221   0.474  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1       -6.188   0.065  -0.432  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1       -6.474   0.488  -1.306  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -7.061  -0.704   1.591  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -9.695  -0.154   0.879  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -8.563   0.152  -0.086  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1        3.536   1.855   0.415  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        3.525   1.730   1.422  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.620   1.118  -0.041  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1        5.512   0.775   0.897  0.00  0.00    -0.215 NA
ATOM     24  C   LIG    1        6.577   0.053   0.519  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1        6.775  -0.350  -0.803  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        7.902  -1.109  -1.176  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        8.843  -1.470  -0.216  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.657  -1.074   1.105  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.789   0.053  -1.687  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        7.532  -0.320   1.458  0.00  0.00    +0.028 A 
ATOM     31  N   LIG    1        4.712   0.776  -1.331  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5