REMARK  Name = BDB057812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.313   1.104  -0.565  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -2.037   0.683  -0.564  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -1.099   1.551  -0.138  0.00  0.00    +0.144 A 
ATOM      4  C   LIG    1       -1.396   2.870   0.262  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -2.747   3.177   0.207  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1       -3.717   2.333  -0.200  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.497  -1.160  -0.595  0.00  0.00    -0.034 A 
ATOM      8  C   LIG    1       -4.345   0.175  -1.058  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -5.230   0.639  -2.058  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -6.212  -0.181  -2.614  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.333  -1.494  -2.183  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.486  -1.978  -1.187  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -4.463  -2.381   1.641  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -3.632  -1.740   0.522  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -2.620  -2.742  -0.038  0.00  0.00    +0.012 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  N   LIG    1       -0.384   3.761   0.695  0.00  0.00    -0.332 N 
ATOM     17  C   LIG    1       -0.796   4.800   1.641  0.00  0.00    +0.129 C 
ATOM     18  C   LIG    1        0.392   4.274  -0.445  0.00  0.00    +0.129 C 
ENDBRANCH   4  16
BRANCH   3  19
ATOM     19  N   LIG    1        0.257   1.146  -0.124  0.00  0.00    -0.323 N 
ATOM     20  H   LIG    1        0.685   1.577   0.694  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.459  -0.290  -0.183  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.932  -0.584  -0.016  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.428  -1.114   1.181  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.796  -1.370   1.330  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        4.704  -1.098   0.294  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        4.197  -0.560  -0.899  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        2.831  -0.304  -1.052  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.140  -1.365   0.457  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.106  -0.392   0.197  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1        8.445  -0.571   0.323  0.00  0.00    -0.263 NA
ATOM     31  C   LIG    1        8.853  -1.789   0.734  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        7.988  -2.830   1.023  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        6.618  -2.611   0.882  0.00  0.00    +0.011 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7