REMARK  Name = BDB022190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.500   1.416   0.576  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        1.502   1.279  -0.604  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1        0.943   1.790  -1.962  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        1.253   1.268  -3.037  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1        0.156   2.922  -1.948  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -0.108   3.324  -2.839  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1       -0.397   3.337  -0.763  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -1.194   4.420  -0.537  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1       -1.629   5.423  -1.477  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1       -1.592   4.511   0.749  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -1.038   3.447   1.349  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -1.275   3.192   2.791  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -0.284   2.675   0.435  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -2.290  -1.901   0.996  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1       -2.345  -1.097  -0.158  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -1.459  -0.019  -0.298  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1       -0.515   0.284   0.700  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1       -0.476  -0.531   1.841  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -1.353  -1.609   1.990  0.00  0.00    +0.050 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -3.167  -3.760   2.214  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -3.184  -2.941   1.053  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1       -3.287  -1.452  -1.094  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -3.443  -0.609  -2.226  0.00  0.00    +0.277 C 
ENDBRANCH  15  22
ENDBRANCH   1  17
BRANCH   2  24
ATOM     24  N   LIG    1        2.036  -0.070  -0.789  0.00  0.00    -0.299 N 
ATOM     25  H   LIG    1        2.012  -0.441  -1.734  0.00  0.00    +0.150 HD
ATOM     26  C   LIG    1        2.821  -0.672   0.166  0.00  0.00    +0.245 C 
ATOM     27  O   LIG    1        3.111  -0.131   1.227  0.00  0.00    -0.270 OA
BRANCH  26  28
ATOM     28  C   LIG    1        3.331  -2.030  -0.159  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        4.541  -2.443   0.412  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        5.048  -3.713   0.135  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        4.345  -4.577  -0.705  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.130  -4.176  -1.262  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        2.619  -2.905  -0.989  0.00  0.00    +0.013 A 
ENDBRANCH  26  28
ENDBRANCH   2  24
TORSDOF 5