REMARK  Name = BDB003344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.721  -0.133   0.862  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -2.466  -0.121   1.359  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1       -1.498   0.524   0.665  0.00  0.00    +0.134 A 
ATOM      4  C   LIG    1       -1.792   1.248  -0.533  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1       -3.120   1.203  -1.021  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1       -3.469   1.885  -2.200  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.526   2.634  -2.900  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.226   2.720  -2.425  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.867   2.044  -1.257  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.090   0.493  -0.315  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   3  11
ATOM     11  N   LIG    1       -0.173   0.456   1.183  0.00  0.00    -0.285 N 
ATOM     12  C   LIG    1        0.938   0.006   0.464  0.00  0.00    +0.034 C 
ATOM     13  C   LIG    1        2.261   0.382   0.978  0.00  0.00    -0.029 C 
ATOM     14  C   LIG    1        3.384   0.182   0.263  0.00  0.00    -0.009 C 
ATOM     15  C   LIG    1        3.361  -0.434  -1.117  0.00  0.00    +0.102 C 
ATOM     16  C   LIG    1        2.101  -1.284  -1.356  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1        2.297   1.016   2.344  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        1.239   0.389   3.238  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        0.884  -0.784  -0.628  0.00  0.00    -0.002 C 
ATOM     20  C   LIG    1       -0.156   0.597   2.650  0.00  0.00    +0.113 C 
BRANCH  15  21
ATOM     21  C   LIG    1        4.637  -1.256  -1.351  0.00  0.00    +0.220 C 
ATOM     22  N   LIG    1        5.754  -0.478  -1.605  0.00  0.00    -0.318 N 
ATOM     23  H   LIG    1        5.697   0.520  -1.449  0.00  0.00    +0.148 HD
ATOM     24  C   LIG    1        7.057  -1.077  -1.745  0.00  0.00    +0.128 C 
ATOM     25  O   LIG    1        4.682  -2.482  -1.310  0.00  0.00    -0.275 OA
ENDBRANCH  15  21
ENDBRANCH   3  11
BRANCH   1  29
ATOM     26  C   LIG    1       -6.511  -2.570   1.624  0.00  0.00    +0.128 C 
ATOM     27  N   LIG    1       -5.595  -1.694   0.938  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1       -5.322  -1.944  -0.004  0.00  0.00    +0.149 HD
ATOM     29  C   LIG    1       -4.738  -0.880   1.667  0.00  0.00    +0.262 C 
ATOM     30  O   LIG    1       -4.785  -0.775   2.887  0.00  0.00    -0.269 OA
ENDBRANCH   1  29
TORSDOF 3