REMARK  Name = BDB016676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.442  -1.445  -0.822  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.397  -0.255  -1.573  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.171   0.405  -1.718  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        1.017  -0.057  -1.164  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        1.998   0.913  -1.544  0.00  0.00    +0.093 A 
ATOM      6  N   LIG    1        1.462   1.875  -2.308  0.00  0.00    -0.173 NA
ATOM      7  C   LIG    1        0.984  -1.268  -0.448  0.00  0.00    +0.012 A 
ATOM      8  N   LIG    1        0.162   1.554  -2.379  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1       -0.454   2.161  -2.907  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.240  -1.938  -0.290  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  14
ATOM     11  O   LIG    1       -5.725  -2.761  -1.013  0.00  0.00    -0.274 OA
ATOM     12  C   LIG    1       -5.319  -1.772  -0.426  0.00  0.00    +0.228 C 
ATOM     13  C   LIG    1       -3.918  -1.587   0.111  0.00  0.00    +0.081 C 
ATOM     14  C   LIG    1       -2.746  -2.186  -0.641  0.00  0.00    +0.040 C 
ATOM     15  C   LIG    1       -3.152  -2.729   0.715  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1       -3.952  -0.230   0.756  0.00  0.00    -0.011 A 
ATOM     17  C   LIG    1       -5.240   0.298   0.572  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -5.631   1.536   1.040  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -4.679   2.283   1.734  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.384   1.778   1.942  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.017   0.516   1.458  0.00  0.00    +0.006 A 
ATOM     22  N   LIG    1       -6.025  -0.621  -0.127  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1       -6.994  -0.497  -0.375  0.00  0.00    +0.155 HD
ENDBRANCH   1  14
BRANCH   5  24
ATOM     24  C   LIG    1        3.396   0.923  -1.225  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        3.965   0.450  -0.103  0.00  0.00    +0.011 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.405   0.508   0.178  0.00  0.00    -0.007 A 
ATOM     27  C   LIG    1        6.014  -0.514   0.904  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        7.326  -0.543   1.244  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        8.073   0.508   0.847  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        7.569   1.584   0.136  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.215   1.583  -0.197  0.00  0.00    +0.011 A 
ENDBRANCH  25  26
ENDBRANCH   5  24
TORSDOF 3