REMARK  Name = BDB027540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.968   0.905  -3.197  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.806   0.281  -2.786  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.399  -0.026  -1.420  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.137  -0.139  -1.478  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.354  -0.643  -2.908  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.310   0.129  -3.700  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        2.114   1.372  -4.324  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.221   1.363  -0.439  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        4.728   2.458  -1.163  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.667   2.301  -2.060  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.080   1.045  -2.229  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.581  -0.057  -1.533  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.642   0.107  -0.634  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.952   0.693   1.233  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        6.287   1.609   0.450  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        6.627   2.561   0.478  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.785  -0.520   1.270  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        8.002   2.496   2.637  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.033   1.281   2.074  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -1.640  -1.071  -0.480  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.153  -1.071   0.411  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.979  -0.924  -0.149  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -3.280  -1.185   1.130  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -4.557  -1.075   1.515  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -5.573  -0.697   0.632  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -6.912  -0.588   1.057  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -7.243  -0.867   2.381  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -6.234  -1.258   3.264  0.00  0.00    +0.061 A 
ATOM     29  C   LIG    1       -5.152  -0.439  -0.661  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -4.904  -1.345   2.831  0.00  0.00    +0.043 A 
ATOM     31  N   LIG    1       -3.873  -0.542  -1.066  0.00  0.00    -0.222 NA
BRANCH  28  32
ATOM     32  C   LIG    1       -6.530  -1.548   4.683  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -5.835  -1.154   5.600  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -7.627  -2.317   4.843  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -7.983  -2.703   4.021  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 7