REMARK  Name = BDB011563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.663   0.279   0.633  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -1.590   0.255  -0.385  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1       -2.680   1.254  -0.338  0.00  0.00    +0.171 C 
ATOM      4  C   LIG    1       -3.367   1.255  -1.706  0.00  0.00    +0.069 C 
ATOM      5  C   LIG    1       -2.773   0.036  -2.339  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -3.143  -0.500  -3.567  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -2.453  -1.612  -4.036  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.413  -2.160  -3.279  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.048  -1.605  -2.043  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.733  -0.500  -1.567  0.00  0.00    +0.040 A 
ATOM     11  O   LIG    1       -0.768   1.132   1.536  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -3.708   0.897   0.751  0.00  0.00    +0.232 C 
ATOM     13  O   LIG    1       -3.932  -0.237   1.163  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1       -4.460   1.948   1.211  0.00  0.00    -0.328 N 
ATOM     15  H   LIG    1       -5.054   1.715   1.998  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -4.057   2.876   1.228  0.00  0.00    +0.145 HD
ENDBRANCH   3  12
BRANCH   1  17
ATOM     17  C   LIG    1        0.509  -0.718   0.721  0.00  0.00    +0.162 C 
BRANCH  17  19
ATOM     18  C   LIG    1        2.487   0.734   0.356  0.00  0.00    +0.230 C 
ATOM     19  N   LIG    1        1.634   0.089   1.230  0.00  0.00    -0.302 N 
ATOM     20  H   LIG    1        1.440   0.571   2.102  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1        2.489   0.525  -0.856  0.00  0.00    -0.274 OA
BRANCH  18  22
ATOM     22  C   LIG    1        3.430   1.752   1.034  0.00  0.00    +0.137 C 
ATOM     23  C   LIG    1        2.681   3.067   1.226  0.00  0.00    +0.034 C 
BRANCH  22  25
ATOM     24  C   LIG    1        5.566   0.886   0.267  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1        4.625   1.999   0.200  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1        4.303   2.083  -0.770  0.00  0.00    +0.122 HD
ENDBRANCH  22  25
ENDBRANCH  18  22
ENDBRANCH  17  19
BRANCH  17  27
ATOM     27  C   LIG    1        0.208  -1.861   1.720  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -1.018  -2.697   1.348  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1        1.417  -2.796   1.864  0.00  0.00    +0.009 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 6