REMARK  Name = BDB027556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.098   2.298   0.713  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.018   1.449   0.574  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.327   1.918   0.860  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.242   0.730   0.525  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.340  -0.455   0.883  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.036   0.002   0.417  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.987   3.466   1.077  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.061   0.848  -0.053  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        4.057   0.677  -1.010  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.760   1.146  -0.772  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.455   1.775   0.436  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.457   1.975   1.388  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.751   1.507   1.144  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.923  -0.289  -1.292  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1        6.390   0.406  -0.217  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        7.023   0.616   0.544  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.321  -0.661  -2.291  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.025  -1.318  -2.253  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.406  -0.563  -1.089  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -3.460   0.748   1.320  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -3.842   1.668   1.520  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.523   0.024   0.800  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -5.736   0.540   1.041  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -6.807  -0.118   0.576  0.00  0.00    +0.079 A 
ATOM     25  C   LIG    1       -6.694  -1.307  -0.151  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -7.834  -1.984  -0.631  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -9.098  -1.462  -0.380  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -9.207  -0.281   0.341  0.00  0.00    +0.125 A 
ATOM     29  F   LIG    1      -10.421   0.229   0.587  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -5.397  -1.746  -0.350  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -8.078   0.383   0.813  0.00  0.00    +0.066 A 
ATOM     32  N   LIG    1       -4.309  -1.101   0.107  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5