REMARK  Name = BDB027534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.117  -2.791   1.366  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.821  -2.318   1.428  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.308  -1.060   0.897  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.201  -1.299   0.694  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.502  -2.314   1.800  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.270  -3.205   1.786  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        2.414  -3.962   1.588  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.296  -0.136   0.249  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        4.413   0.222   1.272  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.373  -0.635   1.647  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.199  -1.853   0.986  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        4.093  -2.234  -0.017  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        5.133  -1.375  -0.386  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.674   1.946   0.236  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        6.370   0.670  -0.180  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        6.949   0.281  -0.911  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.029   2.658   0.996  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        8.996   1.814  -0.716  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.901   2.514  -0.391  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -1.960  -0.068   0.854  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.517   0.776   0.504  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.219  -0.066   0.270  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -3.611   1.113  -0.230  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -4.822   1.187  -0.799  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1       -5.669   0.082  -0.896  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -6.935   0.182  -1.504  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -7.362   1.404  -2.019  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.537   2.526  -1.921  0.00  0.00    -0.048 A 
ATOM     29  C   LIG    1       -6.967   3.843  -2.499  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -5.162  -1.088  -0.359  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.273   2.395  -1.322  0.00  0.00    +0.031 A 
ATOM     32  N   LIG    1       -3.950  -1.185   0.218  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5