REMARK  Name = BDB016668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.922  -3.859  -0.022  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.096  -2.654   0.033  0.00  0.00    +0.228 C 
ATOM      3  C   LIG    1       -1.194  -1.611  -0.587  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1        0.301  -1.856  -0.642  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1       -0.526  -1.841  -1.912  0.00  0.00    +0.031 C 
ATOM      6  C   LIG    1       -1.863  -0.307  -0.256  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -3.013  -0.597   0.497  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.876   0.369   0.974  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.572   1.697   0.675  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.433   2.018  -0.085  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -1.577   1.016  -0.557  0.00  0.00    +0.006 A 
ATOM     12  N   LIG    1       -3.128  -1.979   0.659  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -3.873  -2.452   1.147  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1        1.310  -0.767  -0.358  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1        2.209  -0.331  -1.350  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        3.126   0.678  -1.030  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        3.201   1.263   0.229  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        4.241   2.214   0.106  0.00  0.00    +0.131 A 
ATOM     19  N   LIG    1        4.784   2.239  -1.114  0.00  0.00    -0.167 NA
ATOM     20  I   LIG    1        4.900   3.472   1.622  0.00  0.00    -0.019 I 
ATOM     21  C   LIG    1        2.321   0.819   1.231  0.00  0.00    +0.013 A 
ATOM     22  N   LIG    1        4.096   1.294  -1.776  0.00  0.00    -0.276 N 
ATOM     23  H   LIG    1        4.335   1.116  -2.745  0.00  0.00    +0.189 HD
ATOM     24  C   LIG    1        1.397  -0.191   0.921  0.00  0.00    +0.005 A 
ENDBRANCH   4  14
TORSDOF 1