REMARK  Name = BDB031159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.693  -1.870  -1.446  0.00  0.00    +0.144 C 
ATOM      2  N   LIG    1       -1.972  -1.391  -1.972  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -2.913  -0.573  -1.383  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -3.906  -0.213  -2.021  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -2.164  -1.845  -3.343  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -0.929  -2.679  -3.695  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -0.369  -3.073  -2.330  0.00  0.00    +0.063 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        2.001   0.565  -0.983  0.00  0.00    +0.040 A 
ATOM      9  N   LIG    1        1.149  -0.415  -0.535  0.00  0.00    -0.344 N 
ATOM     10  H   LIG    1        1.115  -0.778   0.409  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        0.349  -0.798  -1.583  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        0.650  -0.112  -2.669  0.00  0.00    -0.239 NA
ATOM     13  C   LIG    1        1.664   0.735  -2.307  0.00  0.00    +0.134 A 
BRANCH   8  14
ATOM     14  C   LIG    1        3.012   1.254  -0.131  0.00  0.00    +0.090 C 
BRANCH  14  17
ATOM     15  C   LIG    1        4.433  -1.213   2.420  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        4.188  -0.531   1.224  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        3.298   0.554   1.178  0.00  0.00    -0.038 A 
ATOM     18  C   LIG    1        2.643   0.942   2.353  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.884   0.265   3.548  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.777  -0.809   3.583  0.00  0.00    +0.045 A 
BRANCH  15  22
ATOM     21  C   LIG    1        5.650  -2.937   3.514  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        5.319  -2.249   2.314  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  14  17
ENDBRANCH   8  14
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  O   LIG    1       -1.255  -3.850  -4.433  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -1.587  -3.558  -5.300  0.00  0.00    +0.210 HD
ENDBRANCH   6  23
BRANCH   3  25
ATOM     25  C   LIG    1       -2.693  -0.124   0.071  0.00  0.00    +0.146 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.896   1.138   0.091  0.00  0.00    +0.153 A 
ATOM     27  O   LIG    1       -1.183   1.368   1.233  0.00  0.00    -0.355 OA
ATOM     28  N   LIG    1       -0.500   2.568   1.119  0.00  0.00    -0.040 NA
ATOM     29  C   LIG    1       -0.817   3.033  -0.093  0.00  0.00    +0.255 A 
ATOM     30  C   LIG    1       -1.686   2.178  -0.785  0.00  0.00    +0.115 A 
BRANCH  29  31
ATOM     31  O   LIG    1       -0.325   4.200  -0.563  0.00  0.00    -0.478 OA
ATOM     32  C   LIG    1        0.447   4.934   0.379  0.00  0.00    +0.279 C 
ENDBRANCH  29  31
ENDBRANCH  25  26
BRANCH  25  33
ATOM     33  C   LIG    1       -3.997   0.013   0.908  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -4.750  -1.320   0.982  0.00  0.00    +0.008 C 
ATOM     35  C   LIG    1       -4.953   1.132   0.476  0.00  0.00    +0.008 C 
ENDBRANCH  25  33
ENDBRANCH   3  25
TORSDOF 9