REMARK  Name = BDB028339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.202  -0.013  -1.050  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -2.139  -0.503  -0.130  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.285   0.242   0.175  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.482   1.476  -0.442  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.678   2.266  -0.107  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.523   1.716   0.823  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.361   2.238   1.060  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.371   0.508   1.430  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.889   3.355  -0.628  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.555   1.967  -1.369  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.325  -0.209   1.136  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.418   1.220  -1.675  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        3.162  -2.390  -0.796  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        1.913  -1.812  -1.236  0.00  0.00    -0.271 N 
ATOM     15  C   LIG    1        1.007  -1.087  -0.492  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -0.022  -0.784  -1.371  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        0.372  -1.346  -2.602  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1        1.539  -1.982  -2.519  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1        1.216  -0.735   0.952  0.00  0.00    +0.060 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.611   0.733   1.165  0.00  0.00    +0.041 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.031   1.036   0.750  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1        4.093   0.821   1.640  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        5.407   1.079   1.247  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.673   1.550  -0.038  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.624   1.765  -0.930  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.309   1.510  -0.539  0.00  0.00    +0.003 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  27
ATOM     27  C   LIG    1       -4.189  -1.567   1.825  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.627  -2.631   0.922  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -3.994  -2.729   0.132  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -4.619  -3.522   1.417  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 6