REMARK  Name = BDB027575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.441  -1.437  -1.367  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.321  -0.287  -1.437  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.659  -0.323  -2.019  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.938   1.130  -2.421  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.119   1.944  -1.421  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.126   1.086  -1.233  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.059  -2.529  -1.777  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.405  -1.241   0.274  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1       -3.290  -0.894   1.054  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.995  -0.946   0.528  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -1.800  -1.344  -0.795  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -2.888  -1.738  -1.573  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -4.181  -1.687  -1.040  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.176  -0.369   1.835  0.00  0.00    +0.243 C 
ATOM     15  N   LIG    1       -5.731  -1.215   0.817  0.00  0.00    -0.271 N 
ATOM     16  C   LIG    1       -6.655  -2.255   0.372  0.00  0.00    +0.138 C 
ATOM     17  O   LIG    1       -7.142  -0.619   2.555  0.00  0.00    -0.270 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -5.636   1.704   3.054  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -5.504   0.961   1.948  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1        3.330   1.534  -2.537  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        3.772   1.289  -3.418  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.249   1.194  -1.565  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1        3.898   1.114  -0.277  0.00  0.00    -0.215 NA
ATOM     24  C   LIG    1        4.837   0.777   0.618  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1        6.155   0.508   0.248  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        7.127   0.154   1.207  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        6.773   0.068   2.550  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.462   0.334   2.931  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.411   0.616  -1.107  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        4.511   0.684   1.965  0.00  0.00    +0.028 A 
ATOM     31  N   LIG    1        5.482   0.951  -2.022  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5