REMARK  Name = BDB014969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.077  -2.257   1.597  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.364  -1.433   1.702  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1        3.358  -2.188   2.408  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1        4.212  -1.799   2.124  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1        2.916  -1.051   0.309  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1        4.270  -0.449   0.401  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1        4.212   0.911   0.982  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1        5.527   1.661   0.919  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        6.532   1.284   0.013  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1        7.729   2.012  -0.045  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        7.916   3.124   0.774  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        6.914   3.514   1.660  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        6.347   0.062  -0.848  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        5.724   2.788   1.731  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.879  -0.373  -0.940  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        0.078  -1.485   0.931  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.137  -2.081   0.734  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -2.067  -1.291   0.049  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -3.356  -1.769  -0.232  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -3.708  -3.054   0.199  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -2.785  -3.845   0.884  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -1.502  -3.361   1.150  0.00  0.00    +0.045 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.359  -0.905  -0.962  0.00  0.00    +0.116 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.387  -0.428  -0.044  0.00  0.00    -0.309 NA
ATOM     25  H   LIG    1       -4.934  -0.042   0.785  0.00  0.00    +0.123 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -6.319   0.552  -0.587  0.00  0.00    +0.054 C 
ATOM     27  C   LIG    1       -6.933   0.265  -1.956  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -7.624   1.581  -2.301  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -6.784   2.676  -1.640  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -5.753   1.962  -0.765  0.00  0.00    +0.019 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9