REMARK  Name = BDB015869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.426  -0.255  -0.002  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.714  -0.953  -0.169  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.854  -0.443   0.340  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.873   0.756   1.052  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.649   1.388   1.167  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.503   0.918   0.650  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.088  -0.659  -1.009  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.900  -0.140  -0.465  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.666  -0.815  -0.578  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.666  -2.042  -1.266  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.836  -2.571  -1.815  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.040  -1.881  -1.688  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.739   2.242   0.702  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.952   1.340  -0.103  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.470   0.846  -1.242  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.494   0.065  -1.712  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.348   0.055  -0.882  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.688   0.897   0.157  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.063   1.319   1.658  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.407   2.656   1.635  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.593   2.756   2.305  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.359   3.954   2.546  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.050   1.576   2.761  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.114   0.705   2.377  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -3.047  -1.189   0.156  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.787  -0.554  -0.138  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.068  -2.434  -0.568  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1       -3.110  -2.253  -2.103  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1       -4.647  -2.332  -2.027  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -4.492  -3.027  -0.660  0.00  0.00    +0.022 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5