REMARK  Name = BDB000679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.214  -0.024   0.013  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1        1.082   0.286   1.039  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1        0.663   0.558   1.931  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.551  -0.368  -1.117  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -6.869  -0.647  -2.182  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -5.867  -0.357  -1.102  0.00  0.00    -0.050 A 
ATOM      7  C   LIG    1       -4.491  -0.434  -1.373  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.556  -0.135  -0.379  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -4.009   0.251   0.876  0.00  0.00    +0.139 A 
ATOM     10  O   LIG    1       -3.101   0.562   1.902  0.00  0.00    -0.422 OA
ATOM     11  C   LIG    1       -1.729   0.494   1.697  0.00  0.00    +0.350 A 
ATOM     12  C   LIG    1       -1.246   0.085   0.359  0.00  0.00    +0.122 A 
ATOM     13  O   LIG    1       -0.943   0.767   2.603  0.00  0.00    -0.244 OA
ATOM     14  C   LIG    1       -5.366   0.349   1.165  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -2.124  -0.210  -0.616  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -6.296   0.049   0.170  0.00  0.00    +0.007 A 
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1        2.493   0.275   1.014  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1        3.267  -0.063  -0.091  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        4.670  -0.041  -0.006  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        5.261   0.331   1.220  0.00  0.00    +0.071 A 
ATOM     21  C   LIG    1        6.647   0.352   1.302  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        7.454   0.018   0.211  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        6.869  -0.347  -0.996  0.00  0.00    +0.001 A 
ATOM     24  N   LIG    1        4.529   0.660   2.296  0.00  0.00    -0.253 NA
ATOM     25  C   LIG    1        5.480  -0.377  -1.106  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        3.180   0.626   2.172  0.00  0.00    +0.134 A 
ENDBRANCH   2  17
TORSDOF 2