REMARK  Name = BDB016217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.486  -0.479  -0.408  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1        2.017  -1.638   0.198  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.355  -2.103   1.341  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        0.166  -1.508   1.791  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -0.396  -0.410   1.126  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.292   0.114   0.027  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.661   0.188   1.586  0.00  0.00    +0.094 A 
ATOM      8  C   LIG    1       -2.880   0.085   0.848  0.00  0.00    +0.075 A 
ATOM      9  N   LIG    1       -2.902  -0.688  -0.317  0.00  0.00    -0.338 N 
ATOM     10  H   LIG    1       -1.975  -0.872  -0.699  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -3.896  -0.548  -1.366  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1       -5.258  -0.963  -0.870  0.00  0.00    +0.118 C 
ATOM     13  C   LIG    1       -5.947   0.085  -0.062  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.320   0.730   0.951  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1       -5.978   1.325   1.441  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1       -7.139   0.342  -0.259  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -3.822   0.809  -2.061  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1       -3.996   0.713   1.435  0.00  0.00    +0.058 A 
ATOM     19  C   LIG    1       -3.834   1.432   2.632  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1       -2.601   1.475   3.248  0.00  0.00    +0.113 A 
ATOM     21  N   LIG    1       -1.517   0.863   2.758  0.00  0.00    -0.253 NA
ENDBRANCH   5   7
BRANCH   1  22
ATOM     22  C   LIG    1        2.151   0.150  -1.570  0.00  0.00    +0.074 C 
ATOM     23  N   LIG    1        1.685  -0.141  -2.746  0.00  0.00    -0.298 NA
ATOM     24  H   LIG    1        2.256   0.364  -3.457  0.00  0.00    +0.187 HD
BRANCH  22  26
ATOM     25  C   LIG    1        3.721   1.403  -0.082  0.00  0.00    +0.078 C 
ATOM     26  C   LIG    1        3.314   1.085  -1.326  0.00  0.00    +0.031 C 
BRANCH  25  28
ATOM     27  C   LIG    1        5.192   2.229   1.752  0.00  0.00    +0.125 C 
ATOM     28  N   LIG    1        4.753   2.209   0.368  0.00  0.00    -0.352 N 
ATOM     29  H   LIG    1        5.500   2.383  -0.298  0.00  0.00    +0.145 HD
ENDBRANCH  25  28
BRANCH  26  30
ATOM     30  C   LIG    1        4.016   1.714  -2.478  0.00  0.00    +0.112 C 
ATOM     31  N   LIG    1        3.748   1.457  -3.718  0.00  0.00    -0.307 NA
ATOM     32  H   LIG    1        4.359   2.019  -4.325  0.00  0.00    +0.186 HD
ENDBRANCH  26  30
ENDBRANCH  22  26
ENDBRANCH   1  22
BRANCH   2  33
ATOM     33  N   LIG    1        3.225  -2.194  -0.260  0.00  0.00    -0.346 N 
ATOM     34  H   LIG    1        3.306  -2.055  -1.271  0.00  0.00    +0.146 HD
ATOM     35  C   LIG    1        3.563  -3.557   0.114  0.00  0.00    +0.125 C 
ENDBRANCH   2  33
TORSDOF 6