REMARK  Name = BDB039289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.366  -1.506   0.172  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.829  -2.345   0.420  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -2.031  -2.085  -0.516  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.445  -0.662  -0.525  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -1.427   0.278   0.002  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.013  -0.192  -0.406  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.726  -0.393  -0.013  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.665   0.343  -0.764  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -4.327   0.825  -2.147  0.00  0.00    +0.067 C 
ATOM     10  N   LIG    1       -5.911   0.654  -0.315  0.00  0.00    -0.245 NA
ATOM     11  C   LIG    1       -6.243   0.215   0.930  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -5.391  -0.510   1.746  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -4.120  -0.812   1.264  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.620   0.567   1.410  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1       -8.379   1.258   0.490  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.896   1.532  -0.363  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -9.672   1.799   0.805  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -8.006   0.263   2.533  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        1.345  -2.201  -0.678  0.00  0.00    +0.119 C 
BRANCH  19  29
ATOM     20  C   LIG    1        6.813   1.133   0.075  0.00  0.00    +0.259 C 
ATOM     21  C   LIG    1        6.571   0.385   1.404  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1        7.293   0.459   2.394  0.00  0.00    -0.271 OA
ATOM     23  N   LIG    1        5.394  -0.317   1.448  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1        5.137  -0.736   2.332  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1        4.639  -0.542   0.298  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1        5.133  -0.143  -0.945  0.00  0.00    +0.143 A 
ATOM     27  C   LIG    1        4.412  -0.419  -2.103  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        3.182  -1.076  -2.017  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        2.672  -1.475  -0.772  0.00  0.00    -0.031 A 
ATOM     30  C   LIG    1        3.419  -1.211   0.388  0.00  0.00    +0.032 A 
ATOM     31  O   LIG    1        6.353   0.459  -1.101  0.00  0.00    -0.478 OA
BRANCH  20  33
ATOM     32  C   LIG    1        8.800   2.624   0.680  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1        8.300   1.445  -0.143  0.00  0.00    +0.051 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5