REMARK  Name = BDB060550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.411  -1.563  -2.111  0.00  0.00    +0.151 C 
ATOM      2  N   LIG    1        3.099  -0.434  -1.268  0.00  0.00    -0.327 N 
ATOM      3  C   LIG    1        1.900   0.244  -1.263  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        2.115   1.305  -0.391  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.088   2.234  -0.161  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.140   2.060  -0.811  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -0.340   0.970  -1.663  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1        3.382   1.266   0.125  0.00  0.00    -0.228 NA
ATOM      9  C   LIG    1        0.682   0.049  -1.927  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        3.955   0.187  -0.378  0.00  0.00    +0.142 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        5.318  -0.248  -0.062  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        6.367   0.679  -0.122  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        7.676   0.293   0.173  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.946  -1.023   0.544  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.909  -1.950   0.629  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.599  -1.563   0.333  0.00  0.00    +0.011 A 
ENDBRANCH  10  11
BRANCH   7  17
ATOM     17  O   LIG    1       -1.525   0.779  -2.344  0.00  0.00    -0.456 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.692   0.859  -1.617  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -2.866   0.208  -0.387  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1       -4.082   0.282   0.325  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -5.117   1.024  -0.280  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -4.955   1.653  -1.521  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -3.741   1.564  -2.193  0.00  0.00    +0.050 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.254  -0.421   1.690  0.00  0.00    -0.009 C 
ATOM     25  C   LIG    1       -2.985  -1.176   2.164  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -4.576   0.614   2.791  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -5.381  -1.475   1.615  0.00  0.00    +0.015 C 
ENDBRANCH  20  24
BRANCH  21  28
ATOM     28  O   LIG    1       -6.327   1.141   0.347  0.00  0.00    -0.506 OA
ATOM     29  H   LIG    1       -6.920   1.683  -0.198  0.00  0.00    +0.292 HD
ENDBRANCH  21  28
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 5