REMARK  Name = BDB016155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.394   1.807  -0.128  0.00  0.00    +0.052 A 
ATOM      2  N   LIG    1        0.805   1.293  -0.587  0.00  0.00    -0.339 N 
ATOM      3  C   LIG    1        1.371   2.151  -1.515  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.508   3.242  -1.642  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        0.844   4.283  -2.530  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.031   4.206  -3.265  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.879   3.112  -3.123  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.567   2.068  -2.247  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.586   3.017  -0.768  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  23
ATOM     10  C   LIG    1       -2.395  -1.730  -2.782  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1       -2.719  -1.576  -1.294  0.00  0.00    +0.076 C 
ATOM     12  N   LIG    1       -2.049  -0.391  -0.804  0.00  0.00    -0.339 N 
ATOM     13  H   LIG    1       -1.850   0.338  -1.488  0.00  0.00    +0.146 HD
ATOM     14  C   LIG    1       -2.139   0.086   0.506  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -2.920  -0.491   1.533  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -2.777  -0.035   2.860  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -1.917   1.009   3.187  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -1.170   1.612   2.188  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1       -3.902  -1.493   1.382  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -4.306  -1.874   2.230  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1       -4.540  -1.976   0.283  0.00  0.00    +0.219 C 
ATOM     22  O   LIG    1       -5.427  -2.820   0.439  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1       -1.258   1.153   0.867  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -4.211  -1.454  -1.080  0.00  0.00    +0.118 C 
ENDBRANCH   1  23
BRANCH   2  25
ATOM     25  C   LIG    1        1.408   0.039  -0.152  0.00  0.00    +0.127 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.329   0.239   1.049  0.00  0.00    +0.056 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.900  -1.071   1.530  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        4.185  -1.473   1.147  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.700  -2.697   1.579  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.933  -3.529   2.394  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.651  -3.139   2.777  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        2.135  -1.917   2.347  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 4