REMARK  Name = BDB029264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.714   1.157   3.266  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.416   2.485   2.952  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -2.640   2.030   2.176  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.980   0.710   2.861  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -1.752   0.151   3.393  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        1.941   0.448  -0.783  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        1.545   0.206   0.542  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1        1.868  -0.735   1.558  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.090  -0.446   2.656  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1        0.285   0.634   2.345  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1        0.583   1.060   1.074  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1        0.032   2.109   0.443  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.492   2.248  -0.811  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1        1.409   1.498  -1.439  0.00  0.00    -0.220 NA
BRANCH   6  18
ATOM     15  C   LIG    1        5.455  -1.340  -2.129  0.00  0.00    +0.133 C 
ATOM     16  N   LIG    1        4.313  -1.209  -3.025  0.00  0.00    -0.291 N 
ATOM     17  C   LIG    1        3.190  -0.425  -2.718  0.00  0.00    +0.307 C 
ATOM     18  N   LIG    1        2.905  -0.377  -1.376  0.00  0.00    -0.253 N 
ATOM     19  H   LIG    1        3.204  -1.169  -0.836  0.00  0.00    +0.158 HD
ATOM     20  O   LIG    1        2.529   0.115  -3.601  0.00  0.00    -0.252 OA
ATOM     21  C   LIG    1        4.614  -1.377  -4.438  0.00  0.00    +0.133 C 
ENDBRANCH   6  18
ENDBRANCH   1  10
BRANCH   2  22
ATOM     22  O   LIG    1       -1.887   3.122   4.167  0.00  0.00    -0.385 OA
ATOM     23  H   LIG    1       -1.111   3.520   4.602  0.00  0.00    +0.210 HD
ENDBRANCH   2  22
BRANCH   3  24
ATOM     24  O   LIG    1       -3.707   2.971   2.271  0.00  0.00    -0.386 OA
ATOM     25  H   LIG    1       -3.603   3.391   3.151  0.00  0.00    +0.210 HD
ENDBRANCH   3  24
BRANCH   4  26
ATOM     26  C   LIG    1       -3.712  -0.325   1.975  0.00  0.00    +0.176 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.931  -0.793   0.758  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1       -3.130  -0.160  -0.482  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -2.355  -0.562  -1.546  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1       -2.053  -0.313  -2.994  0.00  0.00    +0.040 C 
ATOM     31  C   LIG    1       -1.002  -1.463  -2.870  0.00  0.00    +0.040 C 
ATOM     32  C   LIG    1       -1.426  -1.565  -1.435  0.00  0.00    -0.044 A 
ATOM     33  C   LIG    1       -1.212  -2.231  -0.255  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -1.970  -1.833   0.852  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
BRANCH  26  35
ATOM     35  O   LIG    1       -4.049  -1.467   2.779  0.00  0.00    -0.385 OA
ATOM     36  H   LIG    1       -3.311  -1.575   3.407  0.00  0.00    +0.210 HD
ENDBRANCH  26  35
ENDBRANCH   4  26
TORSDOF 7