REMARK  Name = BDB027881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.189  -1.648  -0.757  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.832  -2.884  -0.553  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.104  -2.817   0.016  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.741  -4.029   0.235  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.244  -5.260  -0.059  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.026  -5.289  -0.623  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.698  -1.662   0.342  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.027  -0.532   0.072  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1        0.290  -4.149  -0.886  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.798  -0.489  -0.471  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.672   0.742   0.437  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.154   1.978   0.023  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1        2.777   3.158   0.402  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1        3.889   3.187   1.149  0.00  0.00    -0.241 NA
ATOM     15  C   LIG    1        4.398   2.001   1.539  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1        3.836   0.778   1.217  0.00  0.00    +0.031 A 
BRANCH  13  17
ATOM     17  N   LIG    1        2.281   4.388  -0.022  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        1.302   4.500   0.210  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        2.861   5.105   0.407  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
ENDBRANCH   8  11
BRANCH   1  20
ATOM     20  N   LIG    1       -1.106  -1.645  -1.285  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1       -1.687  -2.282  -0.745  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.869  -0.451  -1.695  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1       -2.994  -1.012  -2.610  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -1.060   0.516  -2.572  0.00  0.00    +0.031 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -2.583   0.233  -0.498  0.00  0.00    +0.040 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.692   0.952   0.523  0.00  0.00    +0.086 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -1.542   2.602   2.269  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1       -2.463   1.777   1.480  0.00  0.00    -0.308 NA
ATOM     29  C   LIG    1       -3.279   0.960   2.381  0.00  0.00    +0.104 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7