REMARK  Name = BDB007560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.395   1.401  -1.938  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.590   0.746  -1.619  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.520  -0.437  -0.909  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -1.318  -1.057  -0.946  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.952   1.194  -2.020  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -3.086   0.885  -1.253  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -4.345   1.326  -1.663  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -4.463   2.066  -2.844  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.337   2.391  -3.599  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -2.079   1.961  -3.184  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -5.530   1.090  -1.024  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.509   0.619   0.331  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -5.461  -0.914   0.368  0.00  0.00    +0.072 C 
ATOM     14  C   LIG    1       -6.843  -1.494   0.622  0.00  0.00    +0.163 C 
ATOM     15  O   LIG    1       -7.379  -1.065   1.872  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -7.139   0.303   2.203  0.00  0.00    +0.163 C 
ATOM     17  C   LIG    1       -6.778   1.157   1.002  0.00  0.00    +0.072 C 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        0.772  -1.062  -0.629  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.575  -0.299   0.439  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.765  -0.180   1.622  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.045   0.272   1.323  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.884  -1.028   0.814  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.797  -1.314  -0.308  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.967  -2.095   0.142  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.038  -1.295   0.855  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.145   0.097   0.673  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.167   0.807   1.317  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.092   0.138   2.118  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.002  -1.242   2.284  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.125   0.834  -0.160  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        6.983  -1.956   1.654  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.271  -0.111  -1.017  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8