REMARK  Name = BDB024560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.272  -0.175  -0.184  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.234   0.311   0.631  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.576   1.179   1.777  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.653   2.650   1.348  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.643   0.955   2.962  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.208   1.220   2.567  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.847   0.492   1.302  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.479   0.260   1.015  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.606   0.645   1.751  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.669   0.259   1.076  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.298  -0.495  -0.037  0.00  0.00    -0.322 N 
ATOM     12  C   LIG    1        0.081  -0.407  -0.138  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.031  -0.813  -1.075  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.386  -0.565  -0.798  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.829   0.067   0.372  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.169  -0.971  -1.111  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.240  -1.136  -0.933  0.00  0.00    +0.110 C 
ATOM     18  C   LIG    1       -1.777  -2.095  -2.046  0.00  0.00    +0.077 C 
ATOM     19  N   LIG    1       -1.273  -3.304  -1.348  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -0.302  -3.163  -1.062  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -2.103  -3.389  -0.129  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -3.119  -2.508  -2.686  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -4.051  -2.610  -1.472  0.00  0.00    +0.008 C 
ATOM     24  C   LIG    1       -3.109  -2.245  -0.308  0.00  0.00    +0.027 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        7.587  -0.123  -0.624  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        6.492   0.339   0.169  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -3.069   0.618   1.492  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.863   1.388   0.462  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -3.342   2.553  -0.123  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.080   3.262  -1.072  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.350   2.822  -1.439  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.887   1.677  -0.852  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.151   0.967   0.098  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 4