REMARK  Name = BDB000919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.220  -0.147  -3.024  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -0.842  -0.103  -3.351  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1       -0.613  -0.341  -4.651  0.00  0.00    -0.169 NA
ATOM      4  N   LIG    1       -1.852  -0.534  -5.146  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1       -1.952  -0.733  -6.136  0.00  0.00    +0.188 HD
ATOM      6  C   LIG    1       -2.842  -0.433  -4.213  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.308   0.183  -2.340  0.00  0.00    +0.161 A 
ATOM      8  N   LIG    1        1.626   0.217  -2.702  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1        1.960   0.062  -3.643  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        2.369   0.491  -1.584  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        1.424   0.614  -0.571  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1        1.854   0.903   0.731  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        3.227   1.057   0.966  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        4.170   0.920  -0.068  0.00  0.00    -0.031 A 
ATOM     15  C   LIG    1        3.743   0.638  -1.379  0.00  0.00    +0.032 A 
ATOM     16  N   LIG    1        0.150   0.419  -1.051  0.00  0.00    -0.226 NA
BRANCH  14  17
ATOM     17  C   LIG    1        5.649   1.114   0.219  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1        6.137   0.300   1.342  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1        7.464   0.778   1.785  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1        8.240  -0.311   2.539  0.00  0.00    +0.175 C 
ATOM     21  O   LIG    1        8.551  -1.437   1.707  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1        7.580  -1.659   0.674  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1        6.177  -1.147   1.037  0.00  0.00    +0.113 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   2   7
BRANCH   1  28
ATOM     24  O   LIG    1       -5.032  -0.063  -2.269  0.00  0.00    -0.252 OA
ATOM     25  C   LIG    1       -4.111   0.066  -1.472  0.00  0.00    +0.304 C 
ATOM     26  N   LIG    1       -4.311   0.258  -0.118  0.00  0.00    -0.296 N 
ATOM     27  H   LIG    1       -3.551  -0.038   0.476  0.00  0.00    +0.151 HD
ATOM     28  N   LIG    1       -2.769   0.054  -1.771  0.00  0.00    -0.266 N 
ATOM     29  H   LIG    1       -2.102   0.296  -1.045  0.00  0.00    +0.156 HD
BRANCH  26  30
ATOM     30  C   LIG    1       -5.649   0.214   0.457  0.00  0.00    +0.074 C 
ATOM     31  C   LIG    1       -6.134  -1.227   0.638  0.00  0.00    +0.022 C 
ATOM     32  C   LIG    1       -7.575  -1.284   1.151  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -7.973  -0.071   1.995  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -6.782   0.511   2.743  0.00  0.00    +0.002 C 
ATOM     35  C   LIG    1       -5.678   0.979   1.791  0.00  0.00    +0.022 C 
ENDBRANCH  26  30
ENDBRANCH   1  28
TORSDOF 5