REMARK  Name = BDB049499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.911   0.830   0.283  0.00  0.00    -0.302 N 
ATOM      2  H   LIG    1        1.031   0.873  -0.725  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.097   0.082   0.838  0.00  0.00    +0.215 C 
ATOM      4  O   LIG    1       -0.231  -0.048   2.050  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.888   1.557   1.096  0.00  0.00    +0.186 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.520   2.657   0.240  0.00  0.00    +0.328 C 
ATOM      7  O   LIG    1        2.369   2.764  -0.973  0.00  0.00    -0.249 OA
BRANCH   6   9
ATOM      8  C   LIG    1        3.864   4.574   0.282  0.00  0.00    +0.280 C 
ATOM      9  O   LIG    1        3.260   3.504   1.011  0.00  0.00    -0.467 OA
ENDBRANCH   6   9
ENDBRANCH   5   6
BRANCH   5  10
ATOM     10  C   LIG    1        2.953   0.642   1.726  0.00  0.00    +0.069 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.744  -0.181   0.732  0.00  0.00    -0.045 A 
ATOM     12  C   LIG    1        4.915   0.325   0.150  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        5.627  -0.431  -0.784  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        5.169  -1.696  -1.134  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1        4.015  -2.218  -0.563  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        3.304  -1.463   0.369  0.00  0.00    +0.007 A 
BRANCH  14  17
ATOM     17  O   LIG    1        5.832  -2.467  -2.043  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1        6.614  -1.979  -2.350  0.00  0.00    +0.292 HD
ENDBRANCH  14  17
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   5
BRANCH   3  19
ATOM     19  C   LIG    1       -0.959  -0.624  -0.191  0.00  0.00    +0.108 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.362  -0.964   0.351  0.00  0.00    +0.058 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.202   0.306   0.496  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -3.415   0.859   1.770  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.162   2.027   1.925  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.706   2.662   0.811  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.500   2.130  -0.459  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.751   0.962  -0.618  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -3.094  -2.048  -0.447  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -4.104  -2.789   0.193  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.809  -3.781  -0.490  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.521  -4.047  -1.825  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.531  -3.318  -2.478  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.824  -2.323  -1.797  0.00  0.00    +0.004 A 
ENDBRANCH  20  27
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 10