REMARK  Name = BDB001747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.136  -0.022   1.624  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        0.943   0.170   0.740  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        0.989   0.734  -0.533  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        2.195   0.607  -1.024  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1        2.915   0.026  -0.007  0.00  0.00    +0.184 A 
ATOM      6  N   LIG    1        2.198  -0.222   1.095  0.00  0.00    -0.141 NA
ATOM      7  O   LIG    1        0.109  -0.317   2.796  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.285   0.379   0.655  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -3.440  -0.366  -0.196  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1       -2.084  -0.509   0.122  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -1.564   0.115   1.261  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -2.404   0.834   2.115  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -3.759   0.971   1.809  0.00  0.00    +0.050 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.507   1.105   1.158  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -5.598   0.471   0.268  0.00  0.00    -0.491 OA
ENDBRANCH   8  15
BRANCH   9  16
ATOM     16  O   LIG    1       -4.036  -0.917  -1.303  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1       -3.210  -1.610  -2.228  0.00  0.00    +0.277 C 
ENDBRANCH   9  16
ENDBRANCH   1  11
BRANCH   5  18
ATOM     18  C   LIG    1        4.339  -0.273  -0.136  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        5.018   0.012  -1.330  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        6.380  -0.272  -1.460  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.078  -0.844  -0.398  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.416  -1.132   0.794  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.054  -0.848   0.924  0.00  0.00    +0.011 A 
ENDBRANCH   5  18
BRANCH   3  24
ATOM     24  N   LIG    1       -0.030   1.348  -1.174  0.00  0.00    -0.327 N 
ATOM     25  H   LIG    1       -0.701   1.901  -0.648  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        0.259   1.846  -2.016  0.00  0.00    +0.145 HD
ENDBRANCH   3  24
TORSDOF 5