REMARK  Name = BDB016407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.123  -0.196  -0.809  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        2.789  -1.102   0.203  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.447  -1.343   0.561  0.00  0.00    -0.023 A 
ATOM      4  C   LIG    1        1.155  -2.355   1.649  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1       -0.283  -2.861   1.530  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -1.257  -1.697   1.409  0.00  0.00    +0.111 C 
ATOM      7  N   LIG    1       -0.953  -0.865   0.231  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1        1.449  -1.767   3.033  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1        0.405  -0.668  -0.104  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        0.755   0.240  -1.119  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        2.089   0.471  -1.471  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.060  -0.770  -0.669  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -3.204   0.023  -0.320  0.00  0.00    +0.070 A 
ATOM     14  N   LIG    1       -3.126   0.694   0.923  0.00  0.00    -0.338 N 
ATOM     15  H   LIG    1       -2.128   0.822   1.121  0.00  0.00    +0.146 HD
ATOM     16  C   LIG    1       -3.907   1.906   1.102  0.00  0.00    +0.076 C 
ATOM     17  C   LIG    1       -5.348   1.512   1.345  0.00  0.00    +0.118 C 
ATOM     18  C   LIG    1       -6.081   1.354   0.052  0.00  0.00    +0.219 C 
ATOM     19  N   LIG    1       -5.552   0.666  -0.990  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -6.220   0.607  -1.750  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1       -7.221   1.812  -0.076  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -3.353   2.650   2.321  0.00  0.00    +0.028 C 
ATOM     23  C   LIG    1       -4.315   0.018  -1.188  0.00  0.00    +0.056 A 
ATOM     24  C   LIG    1       -4.228  -0.684  -2.407  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -3.090  -1.405  -2.763  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -2.013  -1.455  -1.892  0.00  0.00    +0.025 A 
ENDBRANCH   7  12
BRANCH   1  28
ATOM     27  C   LIG    1        5.024   1.304  -1.082  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1        4.538   0.051  -1.161  0.00  0.00    +0.013 C 
BRANCH  27  30
ATOM     29  C   LIG    1        6.701   3.143  -0.931  0.00  0.00    +0.125 C 
ATOM     30  N   LIG    1        6.285   1.811  -1.324  0.00  0.00    -0.352 N 
ATOM     31  H   LIG    1        7.038   1.130  -1.349  0.00  0.00    +0.145 HD
ENDBRANCH  27  30
BRANCH  28  32
ATOM     32  C   LIG    1        5.428  -1.059  -1.599  0.00  0.00    +0.111 C 
ATOM     33  N   LIG    1        5.109  -2.312  -1.596  0.00  0.00    -0.307 NA
ATOM     34  H   LIG    1        5.892  -2.869  -1.955  0.00  0.00    +0.186 HD
ENDBRANCH  28  32
ENDBRANCH   1  28
TORSDOF 4