REMARK  Name = BDB016490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.365   2.362   3.002  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -1.282   1.543   2.153  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.832   0.642   1.195  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -1.686  -0.056   0.427  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -3.005   0.133   0.622  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.534   0.952   1.545  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -2.654   1.645   2.285  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.927  -0.673  -0.196  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -5.018  -0.131  -0.927  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -5.874  -1.010  -1.626  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.649  -2.386  -1.645  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.564  -2.917  -0.963  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.718  -2.070  -0.248  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.293   1.371  -0.982  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.500   1.735  -0.114  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -5.484   1.888  -2.414  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        0.551   0.495   0.992  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        1.012   0.307   1.877  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.920  -0.495  -0.013  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.429  -0.586  -0.072  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.181   0.470  -0.601  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        4.577   0.397  -0.650  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        5.261  -0.730  -0.167  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        4.498  -1.782   0.366  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.102  -1.712   0.416  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.728  -0.805  -0.218  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.491  -1.121   0.907  0.00  0.00    +0.119 A 
ATOM     28  N   LIG    1        8.844  -1.212   0.929  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        9.482  -0.972  -0.234  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        8.833  -0.647  -1.412  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.441  -0.564  -1.399  0.00  0.00    +0.011 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6