REMARK  Name = BDB039047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.660  -2.228   1.306  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.642  -1.404   1.754  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.335  -1.566   1.130  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.336  -0.487   1.463  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.636   0.554   2.371  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.690   1.545   2.661  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.416   1.533   2.084  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.124   0.498   1.188  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.987   0.173   0.433  0.00  0.00    -0.324 N 
ATOM     10  C   LIG    1       -0.714  -1.012  -0.218  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.513  -1.417   0.021  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.009   0.628   2.991  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.049  -0.499   0.887  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.677  -0.743   3.053  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.564  -2.968   0.333  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.703  -1.840  -1.097  0.00  0.00    +0.057 C 
ATOM     17  C   LIG    1       -1.118  -3.144  -1.697  0.00  0.00    +0.026 C 
ATOM     18  C   LIG    1       -1.927  -2.842  -2.984  0.00  0.00    +0.099 C 
ATOM     19  C   LIG    1       -1.866  -1.350  -2.551  0.00  0.00    +0.026 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -1.339  -3.185  -4.372  0.00  0.00    +0.308 C 
ATOM     21  O   LIG    1       -1.568  -2.560  -5.404  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -0.531  -4.278  -4.398  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1       -0.401  -4.697  -3.527  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  10  16
BRANCH   1  25
ATOM     24  C   LIG    1        7.862  -2.959   1.624  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1        6.786  -2.131   2.065  0.00  0.00    -0.454 OA
ENDBRANCH   1  25
BRANCH   9  26
ATOM     26  C   LIG    1       -2.253   0.906   0.354  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1       -3.068   0.698   1.634  0.00  0.00    +0.031 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -2.056   2.398  -0.002  0.00  0.00    +0.060 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.255   3.002  -0.709  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1       -3.382   2.999  -2.114  0.00  0.00    -0.047 A 
ATOM     31  C   LIG    1       -2.302   2.474  -3.021  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -4.523   3.571  -2.700  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -5.533   4.125  -1.914  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.410   4.128  -0.530  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.279   3.574   0.068  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   9  26
TORSDOF 7