REMARK  Name = BDB027753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.084  -0.043  -0.708  0.00  0.00    +0.167 A 
ATOM      2  N   LIG    1       -1.099  -0.967  -1.678  0.00  0.00    -0.225 NA
ATOM      3  C   LIG    1       -0.027  -1.765  -1.780  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.079  -1.663  -0.937  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        2.159  -2.566  -1.094  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.098  -3.517  -2.096  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.057  -3.629  -2.937  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        1.004  -0.644   0.030  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        0.033  -2.756  -2.748  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1       -0.075   0.150   0.151  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -3.967  -0.224  -2.301  0.00  0.00    +0.070 C 
ATOM     12  C   LIG    1       -3.507   0.742  -1.274  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1       -2.257   0.800  -0.595  0.00  0.00    +0.084 A 
ATOM     14  C   LIG    1       -2.393   1.893   0.238  0.00  0.00    +0.145 A 
ATOM     15  C   LIG    1       -1.527   2.573   1.221  0.00  0.00    +0.090 C 
ATOM     16  O   LIG    1       -3.627   2.438   0.070  0.00  0.00    -0.359 OA
ATOM     17  N   LIG    1       -4.329   1.722  -0.876  0.00  0.00    -0.083 NA
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1        2.099  -0.471   0.927  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1        2.946  -0.371   0.373  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.992   0.498   2.045  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        2.105   1.980   1.766  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        3.246   1.263   2.421  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1        1.116   0.051   3.193  0.00  0.00    +0.031 C 
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 3