REMARK  Name = BDB064996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.501  -1.555  -2.792  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.063  -0.746  -1.983  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.668   0.460  -1.700  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1        0.393   0.957  -0.865  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.171  -1.059  -1.211  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.035  -0.052  -0.757  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -3.193  -0.370  -0.026  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.466  -1.725   0.231  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.618  -2.732  -0.236  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.475  -2.400  -0.960  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.098   0.686   0.453  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1       -4.658   1.615  -0.432  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -5.503   2.594   0.067  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -5.823   2.715   1.372  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -5.278   1.813   2.213  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -4.426   0.797   1.809  0.00  0.00    +0.028 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        1.952   0.807  -2.268  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.058   0.564  -1.273  0.00  0.00    -0.027 A 
ATOM     19  C   LIG    1        3.563  -0.735  -1.089  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        4.558  -0.920  -0.152  0.00  0.00    +0.167 A 
ATOM     21  O   LIG    1        5.156  -2.103   0.149  0.00  0.00    -0.453 OA
ATOM     22  C   LIG    1        6.088  -1.684   1.167  0.00  0.00    +0.466 C 
ATOM     23  O   LIG    1        6.023  -0.273   1.460  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1        5.051   0.123   0.595  0.00  0.00    +0.166 A 
ATOM     25  C   LIG    1        4.578   1.408   0.450  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        3.568   1.628  -0.492  0.00  0.00    +0.009 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4