REMARK  Name = BDB012204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.623  -0.020  -0.637  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.483  -0.334   0.538  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.736  -0.653   1.102  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        0.796  -0.710   2.111  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.977  -0.561   0.339  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        3.066  -1.441   0.976  0.00  0.00    +0.026 C 
ATOM      7  C   LIG    1        3.942  -0.642   1.939  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        4.700   0.488   1.215  0.00  0.00    +0.174 C 
ATOM      9  C   LIG    1        3.914   1.037   0.011  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1        2.409   0.910   0.205  0.00  0.00    +0.026 C 
BRANCH   8  11
ATOM     11  O   LIG    1        5.940  -0.069   0.758  0.00  0.00    -0.487 OA
BRANCH  11  12
ATOM     12  C   LIG    1        7.016   0.748   0.584  0.00  0.00    +0.139 A 
ATOM     13  C   LIG    1        8.200   0.117   0.210  0.00  0.00    +0.156 A 
ATOM     14  N   LIG    1        9.377   0.750  -0.013  0.00  0.00    -0.260 NA
ATOM     15  C   LIG    1        9.374   2.089   0.141  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        8.252   2.815   0.507  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        7.056   2.131   0.731  0.00  0.00    +0.049 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -1.625  -0.406   1.535  0.00  0.00    +0.096 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.002  -0.166   0.917  0.00  0.00    +0.017 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.477  -1.340   0.059  0.00  0.00    +0.075 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.896  -1.115  -0.408  0.00  0.00    +0.110 A 
ATOM     22  N   LIG    1       -5.876  -1.358   0.518  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -5.647  -1.686   1.445  0.00  0.00    +0.170 HD
ATOM     24  C   LIG    1       -7.213  -1.190   0.261  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1       -8.069  -1.419   1.107  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -7.545  -0.720  -1.093  0.00  0.00    +0.065 A 
ATOM     27  C   LIG    1       -6.483  -0.492  -1.972  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1       -6.770  -0.045  -3.263  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -8.093   0.170  -3.664  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -9.143  -0.062  -2.774  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.872  -0.509  -1.481  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1       -5.141  -0.696  -1.606  0.00  0.00    -0.234 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7