REMARK  Name = BDB013866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.825  -1.492  -0.347  0.00  0.00    -0.335 N 
ATOM      2  H   LIG    1       -1.895  -0.810  -1.116  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.698   0.439   0.933  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -2.102  -0.837   0.870  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -1.917  -1.468   2.104  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1       -2.200  -0.933   3.318  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1       -2.742   0.297   3.324  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -3.015   1.010   2.175  0.00  0.00    +0.036 A 
BRANCH   3  10
ATOM      9  O   LIG    1       -3.651   2.321  -0.226  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1       -3.017   1.280  -0.252  0.00  0.00    +0.339 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -2.509   0.822  -1.412  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1       -2.784   1.501  -2.065  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1       -0.546  -2.204  -0.463  0.00  0.00    +0.176 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.661  -1.331  -0.444  0.00  0.00    +0.123 A 
ATOM     15  O   LIG    1        1.009  -0.747  -1.629  0.00  0.00    -0.458 OA
ATOM     16  C   LIG    1        2.111   0.015  -1.390  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1        2.479  -0.072  -0.053  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.600   0.655   0.384  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        4.301   1.435  -0.548  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.900   1.495  -1.885  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.786   0.779  -2.339  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        1.536  -0.944   0.551  0.00  0.00    +0.054 A 
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5