REMARK  Name = BDB028483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.406  -2.651  -0.428  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        1.388  -1.447  -0.666  0.00  0.00    +0.303 C 
ATOM      3  N   LIG    1        2.288  -0.559  -0.105  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1        3.440  -1.155   0.570  0.00  0.00    +0.144 C 
ATOM      5  C   LIG    1        4.286  -0.206   1.387  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1        3.935   1.144   1.551  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        4.729   1.982   2.344  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        5.883   1.490   2.952  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        6.244   0.156   2.783  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        2.675   1.664   0.917  0.00  0.00    +0.054 C 
ATOM     11  C   LIG    1        5.449  -0.688   2.007  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.334   0.883  -0.350  0.00  0.00    +0.114 C 
ATOM     13  N   LIG    1        0.444  -0.885  -1.487  0.00  0.00    -0.297 N 
ATOM     14  H   LIG    1        0.817  -0.152  -2.070  0.00  0.00    +0.150 HD
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -0.544  -1.716  -2.157  0.00  0.00    +0.138 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.481  -2.536  -1.254  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -2.613  -2.954  -2.043  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -3.311  -2.296  -1.841  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.018  -1.837   0.018  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.129  -0.886  -0.258  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -2.589   0.464  -0.566  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -3.705   1.468  -0.665  0.00  0.00    -0.023 A 
ATOM     23  C   LIG    1       -4.940   1.261  -0.086  0.00  0.00    -0.005 A 
ATOM     24  S   LIG    1       -6.016   2.552  -0.312  0.00  0.00    -0.101 S 
ATOM     25  C   LIG    1       -4.843   3.432  -1.198  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -5.308   0.009   0.637  0.00  0.00    +0.058 C 
ATOM     27  C   LIG    1       -3.654   2.742  -1.312  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -4.032  -0.814   0.923  0.00  0.00    +0.090 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH  13  15
TORSDOF 5