REMARK  Name = BDB047316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.406  -0.178   0.476  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.981   0.469  -0.721  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.896   1.142  -1.558  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -3.206   1.212  -1.107  0.00  0.00    +0.164 A 
ATOM      5  O   LIG    1       -4.253   1.845  -1.769  0.00  0.00    -0.407 OA
ATOM      6  C   LIG    1       -5.341   1.629  -0.913  0.00  0.00    +0.421 A 
ATOM      7  N   LIG    1       -4.959   0.893   0.190  0.00  0.00    -0.274 N 
ATOM      8  O   LIG    1       -6.464   2.053  -1.146  0.00  0.00    -0.223 OA
ATOM      9  C   LIG    1       -3.613   0.631   0.075  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -2.750  -0.075   0.881  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -0.481  -1.035   1.315  0.00  0.00    +0.038 C 
BRANCH  11  13
ATOM     12  C   LIG    1        0.795  -3.199   1.499  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -0.141  -2.365   0.639  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  O   LIG    1        0.325   0.360  -1.137  0.00  0.00    -0.472 OA
BRANCH  14  15
ATOM     15  C   LIG    1        1.208   1.275  -0.460  0.00  0.00    +0.311 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.447   0.534   0.030  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        3.073   0.926   1.223  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        4.209   0.256   1.685  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        4.754  -0.816   0.964  0.00  0.00    -0.045 A 
ATOM     20  C   LIG    1        4.139  -1.194  -0.237  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.003  -0.525  -0.701  0.00  0.00    +0.008 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.982  -1.535   1.492  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        7.165  -1.414   0.528  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        5.679  -3.003   1.805  0.00  0.00    +0.012 C 
ENDBRANCH  19  22
ENDBRANCH  15  16
BRANCH  15  25
ATOM     25  C   LIG    1        1.626   2.442  -1.361  0.00  0.00    +0.351 C 
ATOM     26  O   LIG    1        1.600   3.626  -1.054  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        2.079   2.077  -2.582  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        2.330   2.922  -3.008  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  15  25
ENDBRANCH  14  15
ENDBRANCH   2  14
BRANCH   3  29
ATOM     29  C   LIG    1       -1.534   1.712  -2.905  0.00  0.00    +0.042 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.940   0.815  -4.080  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -1.136  -0.475  -4.157  0.00  0.00    +0.004 C 
ENDBRANCH  29  30
ENDBRANCH   3  29
BRANCH   7  32
ATOM     32  C   LIG    1       -5.814   0.503   1.283  0.00  0.00    +0.128 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -5.665   1.392   2.520  0.00  0.00    +0.018 C 
ATOM     34  C   LIG    1       -6.115   2.826   2.283  0.00  0.00    +0.005 C 
ENDBRANCH  32  33
ENDBRANCH   7  32
TORSDOF 12