REMARK  Name = BDB027577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.732   1.832  -1.598  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -2.518   2.156  -0.513  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -2.207   1.972   0.903  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -3.482   2.360   1.661  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -4.250   3.243   0.676  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -3.827   2.748  -0.699  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -2.044   2.075  -2.761  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        2.064  -0.032  -0.932  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        0.877  -0.713  -0.624  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.367  -0.113  -0.835  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -0.429   1.183  -1.347  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        0.742   1.863  -1.683  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        1.985   1.258  -1.468  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        4.557  -0.235  -0.883  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        3.276  -0.711  -0.684  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        3.181  -1.646  -0.314  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        4.882   0.869  -1.298  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        6.894  -0.964  -0.623  0.00  0.00    -0.007 C 
ATOM     19  C   LIG    1        5.586  -1.252  -0.515  0.00  0.00    +0.064 C 
BRANCH  18  20
ATOM     20  C   LIG    1        7.997  -1.927  -0.289  0.00  0.00    +0.111 C 
BRANCH  20  22
ATOM     21  C   LIG    1        8.203  -1.371   2.075  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        8.892  -1.524   0.797  0.00  0.00    -0.305 NA
ATOM     23  C   LIG    1        9.685  -0.340   0.478  0.00  0.00    +0.104 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  24
ATOM     24  N   LIG    1       -4.281   1.256   2.203  0.00  0.00    -0.309 N 
ATOM     25  H   LIG    1       -5.085   1.582   2.733  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.801   0.289   1.364  0.00  0.00    +0.216 A 
ATOM     27  N   LIG    1       -6.099   0.021   1.552  0.00  0.00    -0.214 NA
ATOM     28  C   LIG    1       -6.673  -0.907   0.775  0.00  0.00    +0.076 A 
ATOM     29  C   LIG    1       -5.963  -1.596  -0.212  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1       -6.586  -2.562  -1.023  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -7.932  -2.835  -0.835  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.659  -2.167   0.140  0.00  0.00    +0.040 A 
ATOM     33  F   LIG    1       -8.536  -3.753  -1.599  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -4.627  -1.252  -0.314  0.00  0.00    +0.124 A 
ATOM     35  C   LIG    1       -8.022  -1.209   0.935  0.00  0.00    +0.031 A 
ATOM     36  N   LIG    1       -4.032  -0.330   0.465  0.00  0.00    -0.222 NA
ENDBRANCH  24  26
ENDBRANCH   4  24
TORSDOF 7