REMARK  Name = BDB047574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.519   1.219   0.163  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.676   1.251   0.890  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.800   1.904   0.367  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.687   2.558  -0.871  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.482   2.550  -1.579  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.627   1.884  -1.061  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1        2.247  -0.554   0.070  0.00  0.00    -0.299 N 
ATOM      8  C   LIG    1        1.685   0.526   0.750  0.00  0.00    +0.246 C 
ATOM      9  O   LIG    1        2.106   0.943   1.827  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.759  -1.093  -1.192  0.00  0.00    +0.132 C 
BRANCH   7  11
ATOM     11  C   LIG    1        3.530  -1.071   0.561  0.00  0.00    +0.123 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.724  -0.226   0.071  0.00  0.00    +0.102 C 
BRANCH  12  14
ATOM     13  C   LIG    1        7.098  -0.056  -0.295  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        6.043  -0.813   0.385  0.00  0.00    -0.307 NA
ATOM     15  C   LIG    1        6.298  -0.817   1.829  0.00  0.00    +0.104 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -3.096   1.944   1.145  0.00  0.00    +0.093 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.292   1.447   0.342  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1       -4.515  -0.011   0.162  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -5.613  -0.396  -0.606  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -5.891  -1.751  -0.828  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1       -5.065  -2.727  -0.275  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.967  -2.350   0.497  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -6.486   0.639  -1.183  0.00  0.00    +0.272 A 
ATOM     24  O   LIG    1       -7.460   0.347  -1.866  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -6.144   1.940  -0.907  0.00  0.00    -0.242 N 
ATOM     26  H   LIG    1       -6.736   2.668  -1.294  0.00  0.00    +0.192 HD
ATOM     27  C   LIG    1       -3.691  -0.997   0.717  0.00  0.00    +0.010 A 
ATOM     28  N   LIG    1       -5.077   2.350  -0.172  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 6