REMARK  Name = BDB015962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.468  -0.295   0.389  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.663   0.405   0.598  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.846  -0.215   0.398  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.921  -1.555   0.029  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.702  -2.176  -0.173  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.497  -1.580  -0.003  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.221   0.388   0.569  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.987  -0.255   0.374  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.756   0.397   0.600  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.808   1.734   1.035  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.025   2.388   1.236  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.224   1.718   1.004  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        8.941  -0.673  -0.565  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.555  -0.776  -0.180  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.031  -1.985   0.084  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.759  -1.713   0.388  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.463  -0.330   0.329  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.660   0.246  -0.049  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.157  -2.308  -0.140  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -3.266  -3.264  -1.079  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -4.516  -3.738  -0.942  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -4.975  -4.791  -1.815  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -5.217  -3.138   0.058  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.365  -2.210   0.605  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -3.023   0.552   0.599  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -3.639   0.401  -0.199  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.971   1.938   0.973  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1       -4.378   2.580   1.061  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1       -3.747   3.832   0.413  0.00  0.00    +0.054 C 
ATOM     30  C   LIG    1       -2.695   2.893  -0.216  0.00  0.00    +0.040 C 
BRANCH  29  31
ATOM     31  N   LIG    1       -4.632   4.331  -0.630  0.00  0.00    -0.327 NA
ATOM     32  H   LIG    1       -4.185   4.996  -1.260  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1       -5.462   4.803  -0.271  0.00  0.00    +0.118 HD
ENDBRANCH  29  31
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6