REMARK  Name = BDB057258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.266  -1.495  -0.546  0.00  0.00    +0.012 A 
ATOM      2  C   LIG    1       -0.581  -2.427  -1.540  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1       -1.758  -2.311  -2.282  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.661  -1.281  -2.008  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.396  -0.355  -0.992  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.200  -0.478  -0.269  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -3.311   0.734  -0.677  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -2.948   1.810   0.132  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -4.021   2.551   0.180  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -4.429   3.820   0.811  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -5.736   4.142   0.040  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -6.245   2.798  -0.516  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -5.035   2.007  -0.542  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -4.627   0.858  -1.106  0.00  0.00    +0.115 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  C   LIG    1        1.007  -1.589   0.256  0.00  0.00    +0.143 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.709  -0.122   1.243  0.00  0.00    +0.244 C 
ATOM     17  N   LIG    1        1.669  -0.305   0.360  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        1.585   0.318  -0.431  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        3.095  -0.985   2.023  0.00  0.00    -0.270 OA
BRANCH  16  22
ATOM     20  C   LIG    1        5.414   2.500   1.517  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        4.735   1.279   1.555  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1        3.388   1.201   1.185  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        2.707   2.361   0.796  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        3.383   3.581   0.758  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.733   3.650   1.113  0.00  0.00    +0.045 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.457   3.655   1.903  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.728   2.435   1.892  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  16  22
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   2  28
ATOM     28  O   LIG    1        0.310  -3.432  -1.825  0.00  0.00    -0.488 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -0.172  -4.773  -1.580  0.00  0.00    +0.173 C 
ATOM     30  C   LIG    1        0.916  -5.877  -1.637  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1        0.184  -6.571  -0.474  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -0.383  -5.190  -0.099  0.00  0.00    +0.044 C 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 7