REMARK  Name = BDB019403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.696  -0.873  -0.376  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.815   0.086  -0.282  0.00  0.00    -0.281 N 
ATOM      3  C   LIG    1        2.957  -0.073   0.499  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        3.377  -1.061   1.069  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1        3.653   1.218   0.508  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        2.874   2.136  -0.190  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1        3.301   3.445  -0.338  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        4.530   3.805   0.227  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        5.307   2.866   0.931  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.867   1.550   1.079  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        1.618   1.481  -0.649  0.00  0.00    +0.144 C 
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  C   LIG    1       -0.290  -0.572   0.786  0.00  0.00    +0.237 C 
ATOM     13  N   LIG    1       -1.645  -0.508   0.512  0.00  0.00    -0.284 N 
ATOM     14  C   LIG    1       -2.341  -0.658  -0.770  0.00  0.00    +0.187 C 
ATOM     15  C   LIG    1       -3.766  -1.036  -0.366  0.00  0.00    +0.070 C 
ATOM     16  C   LIG    1       -3.988  -0.333   0.979  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1       -4.543   1.083   0.844  0.00  0.00    +0.043 C 
ATOM     18  C   LIG    1       -2.589  -0.350   1.613  0.00  0.00    +0.143 C 
ATOM     19  O   LIG    1        0.115  -0.389   1.938  0.00  0.00    -0.274 OA
BRANCH  14  20
ATOM     20  C   LIG    1       -2.360   0.583  -1.669  0.00  0.00    +0.326 C 
ATOM     21  O   LIG    1       -2.994   0.696  -2.706  0.00  0.00    -0.249 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -1.578   1.597  -1.254  0.00  0.00    -0.479 OA
ATOM     23  H   LIG    1       -1.735   2.305  -1.915  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  14  20
BRANCH  16  24
ATOM     24  O   LIG    1       -4.904  -1.101   1.758  0.00  0.00    -0.387 OA
ATOM     25  H   LIG    1       -5.769  -1.090   1.314  0.00  0.00    +0.210 HD
ENDBRANCH  16  24
ENDBRANCH   1  12
BRANCH   1  27
ATOM     26  C   LIG    1        2.088  -2.646  -1.568  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        1.130  -2.366  -0.402  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -0.047  -3.342  -0.507  0.00  0.00    +0.009 C 
ENDBRANCH   1  27
TORSDOF 6