REMARK  Name = BDB016209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.115   0.004   1.232  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -1.896  -0.009   0.030  0.00  0.00    +0.060 A 
ATOM      3  N   LIG    1       -1.271  -0.510  -1.133  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.551  -1.187  -0.885  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.080  -0.964  -2.255  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -2.642   0.244  -2.969  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -3.945   0.636  -2.356  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.074   0.750  -1.013  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -4.986   1.113  -0.745  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -4.914   0.908  -3.071  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -1.174  -1.757  -3.202  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.193   0.560   0.077  0.00  0.00    +0.097 A 
ATOM     13  C   LIG    1       -3.732   1.007   1.317  0.00  0.00    +0.143 A 
ATOM     14  C   LIG    1       -2.977   0.952   2.484  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -1.675   0.470   2.435  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        2.996  -1.374   1.343  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        2.623  -0.210   0.635  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        1.296   0.242   0.605  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        0.287  -0.464   1.270  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        0.643  -1.626   1.966  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.971  -2.075   1.992  0.00  0.00    +0.024 A 
BRANCH  16  23
ATOM     22  C   LIG    1        4.826  -2.695   2.348  0.00  0.00    +0.125 C 
ATOM     23  N   LIG    1        4.303  -1.879   1.267  0.00  0.00    -0.346 N 
ATOM     24  H   LIG    1        4.978  -1.191   0.924  0.00  0.00    +0.146 HD
ENDBRANCH  16  23
BRANCH  17  25
ATOM     25  C   LIG    1        3.642   0.593  -0.074  0.00  0.00    +0.044 C 
ATOM     26  N   LIG    1        4.714   1.033   0.506  0.00  0.00    -0.303 NA
ATOM     27  H   LIG    1        4.692   0.801   1.506  0.00  0.00    +0.186 HD
BRANCH  25  28
ATOM     28  C   LIG    1        3.442   0.875  -1.518  0.00  0.00    +0.038 C 
ATOM     29  C   LIG    1        2.838   2.192  -1.949  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        4.277   1.899  -2.250  0.00  0.00    +0.010 C 
ENDBRANCH  25  28
ENDBRANCH  17  25
ENDBRANCH   1  19
BRANCH  13  31
ATOM     31  O   LIG    1       -5.022   1.495   1.257  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -5.595   1.993   2.459  0.00  0.00    +0.277 C 
ENDBRANCH  13  31
TORSDOF 5