REMARK  Name = BDB021872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.529   1.833   0.196  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.637   1.067   0.356  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.718   1.796   0.807  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.478   2.630   1.322  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.659  -0.139   0.127  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.928  -0.487  -0.836  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        2.728  -0.658  -1.656  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.845   0.588  -1.547  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.804   1.155  -0.118  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        2.214   0.099   0.915  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        3.614  -0.444   0.602  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        5.045  -1.405  -1.138  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        5.747  -0.927  -2.418  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        4.638  -2.895  -1.227  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        5.398  -5.298  -1.295  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        5.838  -3.842  -1.325  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -3.060   1.378   0.918  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -3.566   0.211   0.329  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -4.915  -0.172   0.450  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1       -5.750   0.693   1.176  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -5.268   1.866   1.763  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -3.925   2.207   1.633  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  N   LIG    1       -5.413  -1.326  -0.138  0.00  0.00    -0.325 N 
ATOM     24  C   LIG    1       -6.576  -2.029   0.433  0.00  0.00    +0.133 C 
ATOM     25  C   LIG    1       -6.407  -3.552   0.296  0.00  0.00    +0.178 C 
ATOM     26  O   LIG    1       -6.245  -4.001  -1.056  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1       -5.554  -3.055  -1.886  0.00  0.00    +0.178 C 
ATOM     28  C   LIG    1       -4.628  -2.097  -1.117  0.00  0.00    +0.133 C 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  29
ATOM     29  C   LIG    1        0.458   3.263  -0.136  0.00  0.00    +0.144 C 
BRANCH  29  30
ATOM     30  C   LIG    1        0.398   4.167   1.075  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1       -0.454   5.283   1.068  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -0.520   6.136   2.171  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.273   5.891   3.290  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        1.135   4.797   3.304  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        1.202   3.943   2.202  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 8