REMARK  Name = BDB012264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.324  -1.101  -0.385  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.899  -0.072  -0.050  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        1.247   1.079   0.344  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        1.799   1.817   0.764  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.204   1.144   0.456  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1       -0.683   2.601   0.386  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -1.974   2.870   1.171  0.00  0.00    +0.015 C 
ATOM      8  C   LIG    1       -2.923   1.669   1.252  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1       -2.219   0.419   1.813  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -0.690   0.469   1.739  0.00  0.00    +0.023 C 
BRANCH   8  11
ATOM     11  C   LIG    1       -3.578   1.383  -0.059  0.00  0.00    +0.220 A 
ATOM     12  O   LIG    1       -4.728   0.640  -0.027  0.00  0.00    -0.424 OA
ATOM     13  C   LIG    1       -5.048   0.567  -1.357  0.00  0.00    +0.220 A 
ATOM     14  N   LIG    1       -4.189   1.207  -2.122  0.00  0.00    -0.112 NA
ATOM     15  N   LIG    1       -3.236   1.736  -1.279  0.00  0.00    -0.112 NA
BRANCH  13  16
ATOM     16  C   LIG    1       -6.269  -0.196  -1.750  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -7.523   0.279  -0.990  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1       -8.131  -0.781  -0.070  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -7.062  -1.527   0.715  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -6.047  -2.225  -0.192  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -6.043  -1.709  -1.632  0.00  0.00    +0.013 C 
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  22
ATOM     22  C   LIG    1        3.404   0.070  -0.017  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.096  -1.198  -0.499  0.00  0.00    +0.083 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.603  -1.094  -0.479  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        6.259  -2.187  -0.984  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1        5.746  -2.981  -1.341  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        7.626  -2.283  -1.049  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1        8.190  -3.269  -1.508  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        8.369  -1.123  -0.529  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1        7.620  -0.053  -0.030  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1        8.300   1.059   0.471  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        9.699   1.098   0.473  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       10.431   0.021  -0.029  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        9.767  -1.096  -0.534  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1        6.215  -0.054  -0.012  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6