REMARK  Name = BDB051866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.202  -0.178   0.377  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        3.821  -0.009   0.358  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        2.876   0.390  -0.708  0.00  0.00    +0.252 C 
ATOM      4  N   LIG    1        1.584   0.384  -0.167  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1        1.603  -0.008   1.227  0.00  0.00    +0.149 C 
ATOM      6  O   LIG    1        3.233   0.664  -1.839  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        3.047  -0.252   1.501  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        3.613  -0.670   2.696  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        4.990  -0.851   2.738  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.771  -0.611   1.595  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.371   0.705  -0.844  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -0.860   0.662  -0.163  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -2.075   0.970  -0.804  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1       -2.054   1.334  -2.154  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -0.848   1.383  -2.845  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        0.351   1.071  -2.195  0.00  0.00    +0.023 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -3.384   0.929  -0.041  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.382   0.037  -0.656  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1       -5.686   0.155   0.013  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -5.633  -0.785   1.208  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -4.551  -1.800   0.865  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -4.038  -1.385  -0.507  0.00  0.00    +0.085 C 
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   4  11
BRANCH   1  26
ATOM     23  N   LIG    1        5.788   0.742  -1.841  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        4.810   0.914  -2.070  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        6.437   0.759  -2.615  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        6.166   0.040  -0.740  0.00  0.00    +0.242 C 
ATOM     27  O   LIG    1        7.315  -0.388  -0.665  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 4