REMARK  Name = BDB015118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.929  -0.599  -1.239  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        2.560  -0.702  -0.940  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.636  -1.179  -1.877  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        2.082  -1.566  -3.139  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        3.437  -1.471  -3.459  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.351  -0.992  -2.518  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.739   0.851   1.679  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        5.853  -0.180   2.006  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        4.942  -0.650   1.052  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.889  -0.100  -0.240  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        5.776   0.945  -0.547  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        6.688   1.420   0.402  0.00  0.00    +0.013 A 
BRANCH   7  16
ATOM     13  N   LIG    1        8.089   0.583   3.697  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        8.855   0.922   4.265  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        7.928  -0.413   3.686  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1        7.726   1.389   2.653  0.00  0.00    +0.242 C 
ATOM     17  O   LIG    1        8.230   2.497   2.515  0.00  0.00    -0.270 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   3  18
ATOM     18  O   LIG    1        0.344  -1.215  -1.433  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -0.657  -1.648  -2.360  0.00  0.00    +0.261 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.048  -1.592  -1.710  0.00  0.00    +0.166 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.185  -2.648  -0.747  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1       -2.890  -2.339  -0.140  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.329  -0.242  -1.014  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.634  -0.261  -0.306  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -3.677   0.844   0.677  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.024   1.014   1.347  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.192   0.499   0.761  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.431   0.696   1.386  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.513   1.421   2.573  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.360   1.950   3.148  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.101  -0.316  -0.502  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -5.121   1.750   2.537  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.768  -0.118  -1.238  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8