REMARK  Name = BDB016696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.316  -2.069   1.565  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        2.024  -2.359   0.218  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.779  -1.981  -0.297  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -0.205  -1.365   0.464  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -1.297  -1.154  -0.438  0.00  0.00    +0.100 A 
ATOM      6  N   LIG    1       -0.986  -1.579  -1.675  0.00  0.00    -0.173 NA
ATOM      7  C   LIG    1        0.070  -1.098   1.818  0.00  0.00    +0.012 A 
ATOM      8  N   LIG    1        0.247  -2.091  -1.550  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1        0.683  -2.493  -2.371  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1        1.320  -1.459   2.345  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        4.593   1.078  -0.943  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        4.229   0.312   0.171  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        5.039  -0.751   0.551  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        4.947  -1.773   1.651  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        3.667  -2.420   2.147  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        6.194  -2.610   1.480  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        6.877  -2.103   0.389  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        7.752  -2.487   0.066  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        6.513  -3.552   2.184  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        4.419  -1.427   3.013  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        6.214  -1.008  -0.171  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        6.613  -0.262  -1.258  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        5.782   0.792  -1.641  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1        2.579   2.341  -0.907  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        3.879   2.132  -1.448  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1       -2.600  -0.548  -0.161  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -3.170   0.340  -1.083  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -4.413   0.946  -0.834  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -5.018   1.869  -1.871  0.00  0.00    +0.119 C 
ATOM     30  N   LIG    1       -6.092   2.729  -1.340  0.00  0.00    -0.301 NA
ATOM     31  C   LIG    1       -7.070   1.910  -0.610  0.00  0.00    +0.089 C 
ATOM     32  C   LIG    1       -6.429   1.290   0.639  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.735   3.463  -2.428  0.00  0.00    +0.105 C 
ATOM     34  C   LIG    1       -5.107   0.629   0.345  0.00  0.00    -0.042 A 
ATOM     35  C   LIG    1       -4.542  -0.260   1.268  0.00  0.00    +0.004 A 
ATOM     36  C   LIG    1       -3.300  -0.848   1.013  0.00  0.00    +0.010 A 
ENDBRANCH   5  26
TORSDOF 3