REMARK  Name = BDB020188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.382  -1.797   0.111  0.00  0.00    +0.026 C 
ATOM      2  C   LIG    1        0.897  -0.329   0.121  0.00  0.00    +0.070 C 
ATOM      3  C   LIG    1        1.530   0.294   1.382  0.00  0.00    +0.229 C 
ATOM      4  O   LIG    1        1.009   0.258   2.496  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1        2.777   0.858   1.240  0.00  0.00    -0.256 N 
ATOM      6  H   LIG    1        3.181   1.239   2.086  0.00  0.00    +0.157 HD
ATOM      7  C   LIG    1        3.515   1.040   0.099  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1        4.611   1.592   0.136  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.940   0.480  -1.177  0.00  0.00    +0.097 C 
ATOM     10  C   LIG    1        1.421   0.428  -1.123  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -0.643  -0.202   0.113  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1       -1.258   0.998   0.530  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.648   1.151   0.508  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1       -3.450   0.102   0.054  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1       -2.868  -1.092  -0.382  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -1.475  -1.236  -0.356  0.00  0.00    +0.007 A 
BRANCH  14  17
ATOM     17  N   LIG    1       -4.909   0.255   0.026  0.00  0.00    +0.056 N 
ATOM     18  O   LIG    1       -5.382   1.341   0.390  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1       -5.583  -0.709  -0.366  0.00  0.00    -0.126 OA
ENDBRANCH  14  17
ENDBRANCH   2  11
TORSDOF 2