REMARK  Name = BDB032027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.522   0.359  -0.226  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.189   0.199  -0.123  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.513   1.334  -0.136  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -1.905   1.474  -0.044  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -2.228   2.848  -0.074  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -1.006   3.537  -0.210  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -0.837   4.960  -0.270  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.338   3.346   0.009  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        0.022   2.596  -0.240  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        1.371   2.681  -0.338  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        2.133   1.565  -0.333  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.823   0.364   0.119  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -3.877   0.326  -0.991  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -4.762  -0.922  -0.898  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -5.151  -1.303   0.545  0.00  0.00    +0.063 C 
ATOM     16  C   LIG    1       -6.613  -1.753   0.603  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -4.909  -0.155   1.533  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -3.466   0.361   1.517  0.00  0.00    +0.028 C 
BRANCH  15  19
ATOM     19  O   LIG    1       -4.378  -2.436   0.957  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -3.434  -2.239   0.857  0.00  0.00    +0.210 HD
ENDBRANCH  15  19
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        2.245  -0.832  -0.215  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1        1.591  -1.594  -0.129  0.00  0.00    +0.155 HD
BRANCH  21  25
ATOM     23  C   LIG    1        3.006  -3.640  -0.150  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1        4.004  -2.517  -0.259  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        3.606  -1.163  -0.287  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.615  -0.195  -0.393  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        5.980  -0.541  -0.467  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        6.365  -1.886  -0.437  0.00  0.00    +0.094 A 
ATOM     29  N   LIG    1        7.662  -2.235  -0.507  0.00  0.00    -0.149 NA
ATOM     30  N   LIG    1        8.641  -1.282  -0.609  0.00  0.00    -0.157 NA
ATOM     31  C   LIG    1        8.295   0.015  -0.640  0.00  0.00    +0.135 A 
ATOM     32  C   LIG    1        6.981   0.428  -0.572  0.00  0.00    +0.031 A 
ATOM     33  C   LIG    1        5.372  -2.850  -0.334  0.00  0.00    +0.035 A 
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 4