REMARK  Name = BDB001064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.310   1.810  -1.024  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.594   0.446  -0.883  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.591  -0.155  -1.665  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.282   0.632  -2.600  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.015   1.998  -2.721  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.037   2.591  -1.925  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        5.540  -0.137   0.164  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1        4.878   1.142  -0.077  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1        4.043   1.114  -1.295  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        2.532   0.927  -1.053  0.00  0.00    +0.123 C 
ATOM     11  N   LIG    1        1.991   1.921  -0.116  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        0.715   2.467  -0.179  0.00  0.00    +0.247 C 
ATOM     13  O   LIG    1        0.383   3.478   0.437  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.959   2.530   0.798  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        4.117   1.569   1.117  0.00  0.00    +0.103 C 
ENDBRANCH   1  12
BRANCH   3  16
ATOM     16  C   LIG    1       -1.894  -1.633  -1.559  0.00  0.00    +0.093 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.884  -2.171  -0.134  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1       -3.020  -1.883   0.778  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -2.947  -2.405   2.068  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.976  -2.178   2.991  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1       -5.084  -1.420   2.618  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.163  -0.892   1.330  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -1.771  -3.201   2.456  0.00  0.00    +0.272 A 
ATOM     24  O   LIG    1       -1.666  -3.687   3.576  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -0.808  -3.365   1.491  0.00  0.00    -0.242 N 
ATOM     26  H   LIG    1        0.008  -3.915   1.741  0.00  0.00    +0.192 HD
ATOM     27  C   LIG    1       -4.135  -1.121   0.409  0.00  0.00    +0.010 A 
ATOM     28  N   LIG    1       -0.847  -2.872   0.225  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 3