REMARK  Name = BDB055858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.545  -3.624  -2.791  0.00  0.00    -0.246 OA
ATOM      2  C   LIG    1       -2.474  -3.053  -2.674  0.00  0.00    +0.330 A 
ATOM      3  N   LIG    1       -1.897  -2.553  -1.496  0.00  0.00    -0.276 N 
ATOM      4  C   LIG    1       -0.673  -1.967  -1.819  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -0.490  -2.106  -3.195  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1        0.574  -1.656  -3.861  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1        1.469  -1.031  -3.042  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1        1.304  -0.870  -1.645  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        0.203  -1.365  -1.005  0.00  0.00    -0.224 NA
ATOM     10  N   LIG    1       -1.585  -2.772  -3.716  0.00  0.00    -0.289 N 
ATOM     11  H   LIG    1       -1.722  -3.002  -4.685  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        2.291  -0.180  -0.788  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        2.425  -0.524   0.570  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.355   0.111   1.406  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.184   1.123   0.912  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        4.055   1.477  -0.437  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        3.124   0.842  -1.270  0.00  0.00    +0.011 A 
BRANCH  15  18
ATOM     18  C   LIG    1        5.170   1.814   1.742  0.00  0.00    +0.161 A 
ATOM     19  N   LIG    1        5.266   1.728   3.110  0.00  0.00    -0.328 N 
ATOM     20  H   LIG    1        4.674   1.192   3.723  0.00  0.00    +0.168 HD
ATOM     21  C   LIG    1        6.303   2.528   3.480  0.00  0.00    +0.222 A 
ATOM     22  N   LIG    1        6.827   3.083   2.416  0.00  0.00    -0.138 NA
ATOM     23  N   LIG    1        6.114   2.640   1.326  0.00  0.00    -0.130 NA
ENDBRANCH  15  18
ENDBRANCH   8  12
BRANCH   3  24
ATOM     24  C   LIG    1       -2.474  -2.586  -0.179  0.00  0.00    +0.129 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.605  -1.567   0.007  0.00  0.00    +0.025 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.151  -0.096   0.015  0.00  0.00    -0.005 C 
ATOM     27  C   LIG    1       -2.219   0.226   1.197  0.00  0.00    +0.032 C 
ATOM     28  C   LIG    1       -2.317   1.684   1.641  0.00  0.00    +0.160 C 
ATOM     29  O   LIG    1       -2.603   2.522   0.529  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1       -3.915   2.309   0.005  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1       -4.358   0.846   0.049  0.00  0.00    +0.032 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 5