REMARK  Name = BDB052249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.694  -0.219  -0.543  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        0.040   0.381   0.488  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        1.435   0.286   0.519  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.136  -0.415  -0.471  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        1.402  -1.014  -1.502  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.005  -0.919  -1.536  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.599  -0.492  -0.395  0.00  0.00    +0.139 A 
ATOM      8  N   LIG    1        4.369  -1.379  -1.113  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1        4.019  -2.073  -1.754  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        5.690  -1.187  -0.797  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        5.676  -0.158   0.139  0.00  0.00    +0.102 A 
ATOM     12  C   LIG    1        6.898   0.291   0.678  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1        8.087  -0.327   0.246  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        8.062  -1.359  -0.695  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        6.857  -1.814  -1.238  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1        4.376   0.251   0.376  0.00  0.00    -0.227 NA
BRANCH  12  17
ATOM     17  C   LIG    1        6.968   1.383   1.676  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        8.037   1.760   2.142  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1        5.792   1.960   2.059  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        4.904   1.655   1.664  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        5.808   2.714   2.729  0.00  0.00    +0.145 HD
ENDBRANCH  12  17
ENDBRANCH   4   7
BRANCH   1  25
ATOM     22  N   LIG    1       -4.941   0.170  -0.171  0.00  0.00    -0.300 NA
ATOM     23  C   LIG    1       -4.255   1.338  -0.746  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -2.730   1.307  -0.576  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1       -2.208  -0.135  -0.600  0.00  0.00    +0.021 C 
ATOM     26  C   LIG    1       -2.874  -0.968   0.513  0.00  0.00    +0.023 C 
ATOM     27  C   LIG    1       -4.218  -0.386   0.971  0.00  0.00    +0.085 C 
BRANCH  22  29
ATOM     28  C   LIG    1       -7.150  -0.911   0.002  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -6.379   0.414   0.038  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1       -6.723   1.190   1.315  0.00  0.00    +0.024 C 
ENDBRANCH  22  29
ENDBRANCH   1  25
TORSDOF 4