REMARK  Name = BDB051868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.351   0.017  -0.000  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.963  -0.014  -0.096  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.886   0.344   0.852  0.00  0.00    +0.252 C 
ATOM      4  N   LIG    1       -1.657   0.102   0.226  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -1.846  -0.413  -1.114  0.00  0.00    +0.149 C 
ATOM      6  O   LIG    1       -3.106   0.772   1.971  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.328  -0.472  -1.259  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -4.045  -0.915  -2.361  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -5.433  -0.899  -2.286  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -6.074  -0.443  -1.124  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.360   0.309   0.777  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        0.793   0.025   0.021  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        2.092   0.219   0.530  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        2.233   0.700   1.835  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        1.107   0.988   2.601  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -0.174   0.795   2.075  0.00  0.00    +0.023 A 
BRANCH  13  17
ATOM     17  C   LIG    1        3.298  -0.112  -0.332  0.00  0.00    +0.021 C 
ATOM     18  C   LIG    1        4.016  -1.389   0.152  0.00  0.00    +0.023 C 
ATOM     19  C   LIG    1        5.522  -1.357  -0.122  0.00  0.00    +0.081 C 
ATOM     20  N   LIG    1        5.803  -0.723  -1.403  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1        6.792  -0.817  -1.637  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1        5.426   0.692  -1.420  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1        4.290   1.052  -0.457  0.00  0.00    +0.023 C 
ENDBRANCH  13  17
ENDBRANCH   4  11
BRANCH   1  27
ATOM     24  N   LIG    1       -5.617   1.218   2.143  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -4.609   1.267   2.283  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -6.190   1.400   2.955  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -6.178   0.476   1.151  0.00  0.00    +0.242 C 
ATOM     28  O   LIG    1       -7.377   0.212   1.204  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3