REMARK  Name = BDB028492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.134  -1.306  -1.147  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1  14
ATOM      2  O   LIG    1       -1.524   1.098  -0.997  0.00  0.00    -0.253 OA
ATOM      3  C   LIG    1       -2.062   0.106  -0.508  0.00  0.00    +0.303 C 
ATOM      4  N   LIG    1       -3.304   0.144   0.097  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -3.836   1.482   0.367  0.00  0.00    +0.144 C 
ATOM      6  C   LIG    1       -5.243   1.536   0.916  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -6.040   0.385   1.015  0.00  0.00    -0.041 A 
ATOM      8  C   LIG    1       -7.354   0.482   1.492  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -7.866   1.714   1.897  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -7.075   2.857   1.815  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.490  -0.937   0.560  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -5.773   2.770   1.322  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -3.975  -0.989   0.739  0.00  0.00    +0.114 C 
ATOM     14  N   LIG    1       -1.446  -1.115  -0.534  0.00  0.00    -0.297 N 
ATOM     15  H   LIG    1       -1.646  -1.720   0.246  0.00  0.00    +0.150 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1        1.009  -0.674  -0.322  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1        1.126   0.717  -0.647  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        0.215   1.071  -0.755  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        2.355  -1.389  -0.612  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.320  -1.297   0.508  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        3.924   0.044   0.641  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        5.033   0.355  -0.345  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        5.743  -0.673  -0.991  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        6.793  -0.356  -1.863  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.155   0.974  -2.074  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.463   1.995  -1.428  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.331  -2.109  -0.801  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        5.409   1.688  -0.566  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.396  -2.299   0.404  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5