REMARK  Name = BDB014978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.785  -0.696  -0.299  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.205  -1.226   1.079  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1        1.906  -2.471   0.943  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1        1.386  -2.997   0.304  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1        2.045  -0.211   1.884  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1        3.158   0.441   1.160  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1        4.212  -0.536   0.804  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1        5.481   0.097   0.264  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        5.766   1.456   0.480  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1        6.957   2.007  -0.013  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        7.875   1.206  -0.692  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        7.607  -0.147  -0.889  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.762   2.328   1.187  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        6.418  -0.699  -0.412  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.746   1.508   1.991  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -0.103  -1.632  -0.929  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.448  -1.500  -0.722  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -2.237  -2.360  -1.489  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -3.631  -2.342  -1.381  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.260  -1.459  -0.497  0.00  0.00    -0.043 A 
ATOM     21  C   LIG    1       -3.464  -0.608   0.281  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.068  -0.626   0.167  0.00  0.00    +0.046 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.767  -1.448  -0.367  0.00  0.00    +0.070 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.412  -0.109  -0.651  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1       -7.130   0.562   0.350  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.732   1.794   0.085  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.625   2.366  -1.181  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.917   1.708  -2.184  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.314   0.476  -1.922  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8