REMARK  Name = BDB012263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.226  -1.604  -1.798  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.416  -0.904  -0.811  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -0.405  -0.275  -0.113  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1       -0.666   0.420   0.576  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.980  -0.323  -0.566  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        1.940  -0.063   0.608  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1        2.309   1.414   0.730  0.00  0.00    +0.015 C 
ATOM      8  C   LIG    1        3.002   1.951  -0.539  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        2.625   1.160  -1.804  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1        1.189   0.656  -1.735  0.00  0.00    +0.023 C 
BRANCH   8  11
ATOM     11  C   LIG    1        4.483   2.009  -0.377  0.00  0.00    +0.221 A 
ATOM     12  O   LIG    1        5.141   0.846  -0.079  0.00  0.00    -0.420 OA
ATOM     13  C   LIG    1        6.443   1.272  -0.005  0.00  0.00    +0.250 A 
ATOM     14  N   LIG    1        6.562   2.565  -0.234  0.00  0.00    -0.107 NA
ATOM     15  N   LIG    1        5.290   3.043  -0.475  0.00  0.00    -0.112 NA
BRANCH  13  16
ATOM     16  C   LIG    1        7.457   0.282   0.303  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1        7.149  -1.057   0.522  0.00  0.00    +0.124 A 
ATOM     18  N   LIG    1        8.062  -2.018   0.815  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        9.352  -1.626   0.892  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        9.769  -0.321   0.692  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        8.806   0.642   0.394  0.00  0.00    +0.016 A 
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  22
ATOM     22  C   LIG    1       -2.785  -0.637  -0.227  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.874  -1.369  -1.000  0.00  0.00    +0.083 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.258  -1.126  -0.450  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -6.259  -1.797  -1.105  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -6.053  -2.401  -1.889  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -7.583  -1.704  -0.757  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -8.459  -2.314  -1.358  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.878  -0.824   0.385  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -6.798  -0.178   0.994  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -7.051   0.663   2.079  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -8.357   0.851   2.544  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -9.424   0.198   1.925  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -9.188  -0.644   0.840  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -5.472  -0.342   0.556  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6