REMARK  Name = BDB014361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.560  -0.930   2.418  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.153  -0.410   1.356  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.158   0.493   1.000  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.148  -1.792   3.184  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.381  -0.788   0.889  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.153   0.157   0.031  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        1.696   1.216  -0.373  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        3.396  -0.422  -0.220  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        3.357  -1.760   0.284  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        4.603  -2.252   0.876  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        2.138  -1.895   0.972  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        1.787  -3.205   1.602  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        4.140  -0.096  -1.436  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        4.058  -1.184  -2.517  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        4.717  -0.735  -3.824  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        5.927   0.182  -3.623  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        6.568  -0.006  -2.254  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.589   0.327  -1.128  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -2.815  -0.288   0.138  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -2.849   0.020   1.588  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.849   0.663   2.292  0.00  0.00    +0.170 A 
ATOM     22  O   LIG    1       -3.517   0.702   3.609  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1       -2.297   0.092   3.801  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.872  -0.290   2.587  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -5.163   1.272   1.947  0.00  0.00    +0.191 C 
ATOM     26  O   LIG    1       -5.090   1.699   0.581  0.00  0.00    -0.362 OA
ATOM     27  C   LIG    1       -6.247   2.444   0.178  0.00  0.00    +0.139 C 
ATOM     28  C   LIG    1       -6.172   2.603  -1.339  0.00  0.00    +0.042 C 
ATOM     29  C   LIG    1       -7.527   1.760   0.590  0.00  0.00    -0.000 C 
ATOM     30  C   LIG    1       -7.564   0.748   1.472  0.00  0.00    -0.026 C 
ATOM     31  C   LIG    1       -6.304   0.259   2.123  0.00  0.00    +0.066 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4