REMARK  Name = BDB016680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.487  -0.139  -0.592  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.273  -0.172   0.799  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.042  -0.137   1.280  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -2.155  -0.095   0.452  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -3.280  -0.083   1.339  0.00  0.00    +0.100 A 
ATOM      6  N   LIG    1       -2.879  -0.086   2.622  0.00  0.00    -0.173 NA
ATOM      7  C   LIG    1       -1.948  -0.064  -0.940  0.00  0.00    +0.012 A 
ATOM      8  N   LIG    1       -1.540  -0.124   2.550  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1       -1.016  -0.133   3.417  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.635  -0.092  -1.436  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        6.501  -0.556  -0.524  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        5.190  -0.488  -1.020  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        4.346   0.516  -0.572  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        2.920   0.873  -0.882  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        1.889  -0.203  -1.155  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        2.666   2.114  -0.056  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        3.824   2.363   0.664  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        3.916   3.156   1.280  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        1.646   2.783  -0.050  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        2.328   0.743  -2.256  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        4.827   1.440   0.365  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        6.107   1.406   0.873  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        6.952   0.388   0.417  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1        8.583  -1.710  -0.582  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        7.241  -1.588  -1.036  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1       -4.704  -0.060   1.003  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.586   0.740   1.742  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -6.948   0.776   1.431  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -7.456  -0.001   0.383  0.00  0.00    -0.022 A 
ATOM     30  C   LIG    1       -6.577  -0.802  -0.356  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -5.214  -0.837  -0.044  0.00  0.00    +0.010 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -8.916   0.054   0.025  0.00  0.00    +0.191 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -9.134   0.967  -1.042  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1       -8.316   1.478  -1.167  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH   5  26
TORSDOF 5