REMARK  Name = BDB037036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.538   2.110  -0.665  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -2.792   1.628  -0.333  0.00  0.00    -0.003 A 
ATOM      3  C   LIG    1       -3.253   0.227  -0.104  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -4.650   0.408   0.274  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -5.054   1.730   0.157  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -6.172   2.187   0.302  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.861   2.511  -0.183  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.737   3.877  -0.353  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.474   4.370  -0.683  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.383   3.493  -0.838  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -5.608  -0.687   0.355  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.907  -1.301  -1.024  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.567  -0.806  -2.095  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.598  -2.492  -0.997  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.777  -2.897  -1.907  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.607  -3.390   0.039  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.917  -4.563  -0.142  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.239  -2.852   1.403  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.151  -1.794   1.301  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  21
ATOM     20  C   LIG    1        0.496   0.475  -0.978  0.00  0.00    -0.059 C 
ATOM     21  C   LIG    1       -0.428   1.229  -0.836  0.00  0.00    -0.063 C 
BRANCH  20  25
ATOM     22  C   LIG    1        4.902   0.216  -0.557  0.00  0.00    +0.404 C 
ATOM     23  N   LIG    1        3.548   0.166  -0.712  0.00  0.00    -0.260 N 
ATOM     24  C   LIG    1        2.559  -0.558   0.065  0.00  0.00    +0.160 C 
ATOM     25  C   LIG    1        1.606  -0.448  -1.153  0.00  0.00    +0.158 C 
ATOM     26  C   LIG    1        2.807   0.114  -1.958  0.00  0.00    +0.160 C 
ATOM     27  O   LIG    1        5.671   0.543  -1.450  0.00  0.00    -0.226 OA
BRANCH  25  28
ATOM     28  O   LIG    1        1.066  -1.706  -1.627  0.00  0.00    -0.373 OA
ATOM     29  H   LIG    1        0.664  -1.495  -2.488  0.00  0.00    +0.212 HD
ENDBRANCH  25  28
BRANCH  22  30
ATOM     30  O   LIG    1        5.259  -0.134   0.704  0.00  0.00    -0.445 OA
BRANCH  30  32
ATOM     31  C   LIG    1        6.628  -0.594   2.577  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        6.653  -0.151   1.106  0.00  0.00    +0.107 C 
ATOM     33  C   LIG    1        7.272   1.249   1.028  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        7.453  -1.179   0.299  0.00  0.00    +0.055 C 
ENDBRANCH  30  32
ENDBRANCH  22  30
ENDBRANCH  20  25
ENDBRANCH   1  21
TORSDOF 6