REMARK  Name = BDB016456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.073  -0.598  -0.715  0.00  0.00    +0.164 A 
ATOM      2  N   LIG    1       -3.670  -1.777  -0.424  0.00  0.00    -0.208 NA
ATOM      3  C   LIG    1       -2.767  -2.711  -0.105  0.00  0.00    +0.163 A 
ATOM      4  C   LIG    1       -1.392  -2.582  -0.059  0.00  0.00    +0.147 A 
ATOM      5  N   LIG    1       -0.806  -3.771   0.333  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -1.812  -4.603   0.501  0.00  0.00    +0.198 A 
ATOM      7  C   LIG    1       -0.862  -1.323  -0.393  0.00  0.00    +0.151 A 
ATOM      8  N   LIG    1       -3.017  -4.005   0.246  0.00  0.00    -0.329 N 
ATOM      9  H   LIG    1       -3.931  -4.428   0.303  0.00  0.00    +0.168 HD
ATOM     10  N   LIG    1       -1.740  -0.338  -0.719  0.00  0.00    -0.210 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.059   0.968  -0.355  0.00  0.00    -0.034 A 
ATOM     12  C   LIG    1       -3.953   0.514  -1.121  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -3.682   1.155  -2.351  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.484   2.187  -2.837  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.585   2.603  -2.102  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.870   2.001  -0.877  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -5.581   1.458   2.092  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -5.395   0.381   1.014  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -6.632  -0.517   0.932  0.00  0.00    +0.012 C 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   7  20
ATOM     20  N   LIG    1        0.515  -1.087  -0.403  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1        1.002  -1.815   0.117  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        0.901   0.269  -0.069  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.407   0.341   0.046  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.027   0.455   1.296  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.422   0.509   1.393  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        5.233   0.447   0.249  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        4.602   0.325  -0.999  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        3.208   0.269  -1.100  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.701   0.505   0.354  0.00  0.00    -0.018 A 
ATOM     30  C   LIG    1        7.442   1.449  -0.376  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        8.835   1.506  -0.276  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        9.511   0.618   0.556  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.796  -0.326   1.289  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        7.402  -0.381   1.188  0.00  0.00    +0.008 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 6