REMARK  Name = BDB046488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.007  -1.135  -0.354  0.00  0.00    +0.031 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.502  -1.326  -0.351  0.00  0.00    -0.021 C 
ATOM      3  C   LIG    1       -2.408  -0.694   0.412  0.00  0.00    +0.063 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -3.854  -1.018   0.276  0.00  0.00    +0.237 C 
ATOM      5  N   LIG    1       -4.649  -0.260   1.100  0.00  0.00    -0.309 N 
ATOM      6  H   LIG    1       -4.233   0.439   1.699  0.00  0.00    +0.149 HD
ATOM      7  O   LIG    1       -4.272  -1.868  -0.497  0.00  0.00    -0.271 OA
BRANCH   5   8
ATOM      8  C   LIG    1       -6.094  -0.399   1.112  0.00  0.00    +0.138 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.852   0.602   0.207  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -6.623   0.320  -1.278  0.00  0.00    +0.042 C 
ATOM     11  C   LIG    1       -6.485   2.053   0.532  0.00  0.00    +0.042 C 
BRANCH   9  12
ATOM     12  O   LIG    1       -8.262   0.452   0.443  0.00  0.00    -0.388 OA
ATOM     13  H   LIG    1       -8.447   0.699   1.365  0.00  0.00    +0.210 HD
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   3   4
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        0.560  -0.102   0.632  0.00  0.00    +0.031 C 
BRANCH  14  16
ATOM     15  C   LIG    1        2.959  -0.537  -0.136  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1        2.056   0.092   0.634  0.00  0.00    -0.027 C 
BRANCH  15  18
ATOM     17  C   LIG    1        5.280  -0.900  -0.819  0.00  0.00    +0.006 C 
ATOM     18  C   LIG    1        4.378  -0.270  -0.050  0.00  0.00    -0.002 C 
BRANCH  17  19
ATOM     19  C   LIG    1        6.772  -0.712  -0.823  0.00  0.00    +0.166 C 
BRANCH  19  21
ATOM     20  C   LIG    1        7.069   1.832  -0.684  0.00  0.00    +0.040 C 
ATOM     21  C   LIG    1        7.386   0.483  -0.055  0.00  0.00    +0.144 C 
BRANCH  21  22
ATOM     22  O   LIG    1        8.816   0.339  -0.038  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        8.980  -0.625   0.012  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
ENDBRANCH  19  21
BRANCH  19  24
ATOM     24  O   LIG    1        7.342  -1.912  -0.270  0.00  0.00    -0.385 OA
ATOM     25  H   LIG    1        6.823  -2.134   0.523  0.00  0.00    +0.210 HD
ENDBRANCH  19  24
ENDBRANCH  17  19
ENDBRANCH  15  18
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 12