REMARK  Name = BDB016468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.577  -0.674  -1.066  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -1.374  -1.181  -1.394  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -0.941  -2.266  -0.722  0.00  0.00    +0.144 A 
ATOM      4  C   LIG    1       -1.733  -2.908   0.247  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -2.957  -2.292   0.479  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1       -3.405  -1.188  -0.148  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.297   1.771  -1.272  0.00  0.00    -0.034 A 
ATOM      8  C   LIG    1       -3.031   0.494  -1.828  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.213   0.318  -3.221  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.666   1.346  -4.046  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.951   2.586  -3.496  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.769   2.794  -2.129  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -4.328   1.788   1.046  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -3.113   2.162   0.195  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -1.803   1.711   0.843  0.00  0.00    +0.012 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  N   LIG    1       -1.407  -4.061   0.989  0.00  0.00    -0.332 N 
ATOM     17  C   LIG    1       -0.711  -3.742   2.235  0.00  0.00    +0.129 C 
ATOM     18  C   LIG    1       -0.858  -5.182   0.228  0.00  0.00    +0.129 C 
ENDBRANCH   4  16
BRANCH   3  19
ATOM     19  N   LIG    1        0.336  -2.786  -1.027  0.00  0.00    -0.323 N 
ATOM     20  H   LIG    1        0.798  -2.980  -0.144  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.186  -1.983  -1.898  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.017  -1.010  -1.092  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.191  -1.430  -0.454  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.943  -0.533   0.313  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.542   0.803   0.467  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        2.362   1.213  -0.172  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        1.608   0.319  -0.940  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        4.334   1.746   1.274  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1        4.760   2.975   0.742  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        5.513   3.870   1.507  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.851   3.553   2.819  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.439   2.341   3.367  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        4.688   1.446   2.601  0.00  0.00    +0.008 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7