REMARK  Name = BDB051346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.775   3.156  -0.105  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.354   2.024   0.120  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -5.990   1.076   0.997  0.00  0.00    +0.112 A 
ATOM      4  N   LIG    1       -5.470  -0.181   1.211  0.00  0.00    -0.310 N 
ATOM      5  C   LIG    1       -6.286  -0.856   2.089  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1       -7.332  -0.025   2.436  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -4.282  -0.614   0.583  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1       -3.654   0.300  -0.275  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -2.478  -0.058  -0.931  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -1.919  -1.332  -0.735  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1       -2.558  -2.235   0.131  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -3.739  -1.882   0.790  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -7.146   1.194   1.747  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -4.198   1.577  -0.481  0.00  0.00    -0.319 N 
ATOM     15  H   LIG    1       -3.742   2.237  -1.096  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.641  -1.716  -1.445  0.00  0.00    +0.116 C 
BRANCH  16  17
ATOM     17  N   LIG    1        0.477  -0.899  -0.972  0.00  0.00    -0.312 NA
ATOM     18  H   LIG    1        0.558  -1.019   0.037  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.725  -1.280  -1.632  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.893  -0.374  -1.220  0.00  0.00    +0.030 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.317  -0.570   0.244  0.00  0.00    +0.086 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.462   0.219   0.706  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1        5.752  -0.204   0.138  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        6.836   0.858   0.381  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1        6.554   2.102  -0.276  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1        5.151   2.345  -0.449  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1        4.277   1.679   0.627  0.00  0.00    +0.112 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  10  16
TORSDOF 6