REMARK  Name = BDB017018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.355  -1.863  -1.559  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.381  -1.788  -2.939  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.201  -1.340  -3.298  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.589  -1.104  -2.213  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        0.120  -1.452  -1.095  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        3.636  -2.544   1.343  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        2.522  -2.093   0.630  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        2.483  -2.308  -0.742  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        3.490  -2.937  -1.400  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        4.552  -3.362  -0.688  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        4.672  -3.193   0.676  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        4.694  -2.718   3.493  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        3.759  -2.353   2.805  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        2.704  -1.713   3.338  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        2.917  -1.661   4.294  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.944  -0.590  -2.241  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.001   0.942  -2.252  0.00  0.00    +0.126 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.542   1.518  -0.980  0.00  0.00    -0.328 N 
ATOM     19  C   LIG    1       -2.384   1.705   0.114  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1       -1.918   2.356   1.280  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1       -2.764   2.555   2.387  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.072   2.087   2.372  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.543   1.422   1.250  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -0.512   2.898   1.358  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        0.400   2.219   0.352  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1       -3.708   1.235   0.141  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -0.265   2.240  -1.012  0.00  0.00    +0.105 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6