REMARK  Name = BDB018907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.301  -0.173   0.336  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        3.967  -1.240  -0.385  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        4.978  -1.185  -0.366  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        3.594  -2.548  -0.329  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        2.256  -2.860  -0.358  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1        1.270  -2.079  -1.091  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1        0.135  -1.601  -0.216  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -0.470  -2.372   0.788  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -1.463  -1.806   1.596  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.887  -0.491   1.402  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -1.327   0.288   0.386  0.00  0.00    -0.016 A 
ATOM     12  O   LIG    1       -0.164  -3.662   1.134  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1        0.396  -4.479   0.108  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1       -0.331  -0.285  -0.420  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        1.896  -4.240  -0.049  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1        4.478  -3.400  -0.247  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.733   1.693   0.194  0.00  0.00    -0.005 A 
ATOM     18  C   LIG    1       -0.890   2.755   0.608  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -1.239   4.108   0.423  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1       -2.482   4.390  -0.145  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -3.324   3.364  -0.580  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.961   2.017  -0.428  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -3.913   0.954  -0.913  0.00  0.00    +0.044 C 
BRANCH  18  24
ATOM     24  C   LIG    1        0.409   2.432   1.238  0.00  0.00    +0.111 C 
ATOM     25  N   LIG    1        1.537   2.931   0.838  0.00  0.00    -0.307 NA
ATOM     26  H   LIG    1        1.387   3.533   0.018  0.00  0.00    +0.186 HD
ENDBRANCH  18  24
BRANCH  19  27
ATOM     27  N   LIG    1       -0.510   5.163   0.994  0.00  0.00    -0.357 N 
ATOM     28  H   LIG    1        0.455   4.947   1.243  0.00  0.00    +0.142 HD
ATOM     29  H   LIG    1       -0.619   6.065   0.543  0.00  0.00    +0.142 HD
ENDBRANCH  19  27
ENDBRANCH  11  17
TORSDOF 3