REMARK  Name = BDB048313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.632  -0.208  -0.580  0.00  0.00    +0.174 C 
ATOM      2  C   LIG    1       -1.228  -0.770  -1.940  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -3.031  -0.526  -0.399  0.00  0.00    -0.488 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -5.386   2.846   0.350  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -5.259   1.840   1.321  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -4.487   0.687   1.089  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -3.805   0.576  -0.133  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -3.956   1.558  -1.120  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.739   2.687  -0.878  0.00  0.00    +0.007 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.430  -0.320   2.135  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -4.580  -0.035   3.478  0.00  0.00    -0.216 NA
ATOM     12  C   LIG    1       -4.482  -1.211   4.055  0.00  0.00    +0.308 A 
ATOM     13  O   LIG    1       -4.291  -2.258   3.208  0.00  0.00    -0.450 OA
ATOM     14  C   LIG    1       -4.269  -1.678   1.975  0.00  0.00    +0.225 A 
ENDBRANCH   6  10
BRANCH   4  16
ATOM     15  C   LIG    1       -7.684   3.838   0.186  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -6.242   4.058   0.615  0.00  0.00    +0.032 C 
ENDBRANCH   4  16
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -0.872  -0.842   0.597  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.612  -0.492   0.652  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.302  -1.190  -0.381  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.642  -0.948  -0.509  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.237  -1.538  -1.627  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.609  -1.388  -1.897  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        5.176  -2.029  -3.134  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.399  -0.623  -1.017  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        4.791  -0.036   0.106  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        3.426  -0.196   0.358  0.00  0.00    +0.046 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.888  -0.426  -1.220  0.00  0.00    +0.046 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.728  -1.559  -0.632  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.815  -1.492   0.868  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        7.773  -0.495   1.568  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        8.019  -2.706   1.419  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        8.066  -2.527   2.381  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12