REMARK  Name = BDB037017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.946  -0.152  -0.328  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.865  -0.395   0.474  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -1.374   0.318   1.331  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.341  -1.712   0.102  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -2.147  -2.195  -0.916  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -1.917  -3.412  -1.521  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.828  -4.149  -1.057  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.010  -3.657  -0.013  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -0.240  -2.408   0.588  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -3.190  -1.205  -1.167  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -4.075  -1.332  -1.992  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.659   4.176   1.688  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.103   3.239   1.123  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.326   1.942   1.515  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.921   1.822   2.324  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.730   0.798   1.032  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -4.963  -0.291   1.551  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -3.846   0.984  -0.205  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -3.146   2.339  -0.154  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -4.194   3.439  -0.068  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        0.491  -1.934   1.678  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1        0.282  -0.951   1.878  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.928  -2.213   1.767  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.804  -1.631   0.707  0.00  0.00    +0.100 A 
ATOM     25  N   LIG    1        3.794  -2.375   0.116  0.00  0.00    -0.133 NA
ATOM     26  N   LIG    1        4.407  -1.614  -0.781  0.00  0.00    -0.065 NA
ATOM     27  N   LIG    1        3.818  -0.404  -0.754  0.00  0.00    -0.244 N 
ATOM     28  C   LIG    1        2.806  -0.364   0.159  0.00  0.00    +0.135 A 
BRANCH  27  29
ATOM     29  C   LIG    1        4.260   0.649  -1.647  0.00  0.00    +0.222 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.221   1.537  -0.963  0.00  0.00    +0.158 A 
ATOM     31  O   LIG    1        4.803   2.811  -0.727  0.00  0.00    -0.358 OA
ATOM     32  N   LIG    1        5.808   3.513  -0.085  0.00  0.00    -0.086 NA
ATOM     33  C   LIG    1        6.814   2.646   0.055  0.00  0.00    +0.157 A 
ATOM     34  C   LIG    1        6.502   1.386  -0.484  0.00  0.00    +0.069 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 6