REMARK  Name = BDB017353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.585  -0.444  -0.923  0.00  0.00    -0.314 N 
ATOM      2  H   LIG    1       -1.800  -0.315  -1.912  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.510  -1.378  -0.376  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -3.802  -0.986   0.037  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -4.682  -2.028   0.366  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -5.997  -1.745   0.709  0.00  0.00    -0.307 N 
ATOM      7  H   LIG    1       -6.599  -2.531   0.901  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -6.533  -0.499   0.738  0.00  0.00    +0.254 A 
ATOM      9  C   LIG    1       -5.600   0.627   0.472  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -6.187   2.007   0.588  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1       -5.248   3.083   0.040  0.00  0.00    +0.086 C 
ATOM     12  N   LIG    1       -3.887   2.865   0.522  0.00  0.00    -0.312 NA
ATOM     13  H   LIG    1       -3.279   3.617   0.202  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -3.355   1.585   0.030  0.00  0.00    +0.117 C 
ATOM     15  O   LIG    1       -7.719  -0.311   0.986  0.00  0.00    -0.268 OA
ATOM     16  N   LIG    1       -4.381  -3.345   0.345  0.00  0.00    -0.237 NA
ATOM     17  C   LIG    1       -3.140  -3.675  -0.046  0.00  0.00    +0.115 A 
ATOM     18  C   LIG    1       -4.300   0.412   0.170  0.00  0.00    -0.013 A 
ATOM     19  C   LIG    1       -2.193  -2.746  -0.429  0.00  0.00    +0.043 A 
ENDBRANCH   1   3
BRANCH   1  23
ATOM     20  C   LIG    1        2.610  -0.246  -0.300  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        1.771  -0.759   0.695  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        0.388  -0.842   0.491  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -0.184  -0.435  -0.719  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        0.655   0.120  -1.691  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        2.039   0.201  -1.490  0.00  0.00    +0.025 A 
BRANCH  20  28
ATOM     26  O   LIG    1        4.898   0.482  -2.059  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        5.006   0.192  -0.874  0.00  0.00    +0.248 C 
ATOM     28  N   LIG    1        3.990  -0.192  -0.017  0.00  0.00    -0.282 N 
ATOM     29  H   LIG    1        4.266  -0.540   0.892  0.00  0.00    +0.155 HD
BRANCH  27  30
ATOM     30  C   LIG    1        6.367   0.198  -0.265  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        7.456  -0.184  -1.058  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        8.744  -0.192  -0.522  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        8.950   0.191   0.803  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.871   0.592   1.592  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        6.579   0.601   1.060  0.00  0.00    +0.013 A 
ENDBRANCH  27  30
ENDBRANCH  20  28
ENDBRANCH   1  23
TORSDOF 4