REMARK  Name = BDB008543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.817  -1.749   0.667  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -2.753  -2.965   0.624  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        1.970  -1.251   0.841  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        0.591  -1.043   0.918  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.324  -2.048   0.561  0.00  0.00    -0.020 A 
ATOM      6  C   LIG    1        0.189  -3.277   0.126  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        1.569  -3.496   0.036  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        2.458  -2.482   0.399  0.00  0.00    +0.091 A 
BRANCH   7   9
ATOM      9  O   LIG    1        1.913  -4.743  -0.417  0.00  0.00    -0.495 OA
ATOM     10  C   LIG    1        3.297  -4.995  -0.628  0.00  0.00    +0.277 C 
ENDBRANCH   7   9
BRANCH   3  11
ATOM     11  O   LIG    1        2.723  -0.175   1.226  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.140  -0.321   1.201  0.00  0.00    +0.231 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.769   0.985   1.671  0.00  0.00    +0.069 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.423   2.147   0.743  0.00  0.00    +0.163 C 
BRANCH  14  16
ATOM     15  C   LIG    1        4.539   4.044   2.172  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        5.149   3.324   1.107  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   3  11
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  N   LIG    1       -2.276  -0.702  -0.274  0.00  0.00    -0.289 N 
ATOM     18  C   LIG    1       -3.206   0.232   0.210  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -3.753   0.090   1.308  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -3.530   1.450  -0.688  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -2.338   2.208  -0.967  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -2.454   3.595  -0.621  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -3.735   4.206  -1.212  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -4.971   3.533  -0.777  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -5.528   3.310  -1.601  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -4.663   2.290  -0.042  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -1.684  -0.610  -1.592  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -2.516  -0.800  -2.839  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -1.454  -1.793  -2.499  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 10