REMARK  Name = BDB027062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.626  -0.182  -1.028  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.672   0.881   0.064  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.595   2.249  -0.245  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.613   3.211   0.767  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.694   2.818   2.101  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.747   1.465   2.427  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.729   0.502   1.417  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -0.288  -0.181  -1.676  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -0.379  -0.659  -2.578  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        0.773  -0.790  -0.878  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.107  -0.618  -1.624  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.593  -1.903   0.575  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.214  -2.576  -0.591  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.078  -2.171  -1.296  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.307  -1.092  -0.838  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.683  -0.437   0.345  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.814  -0.847   1.056  0.00  0.00    +0.013 A 
BRANCH  12  21
ATOM     18  C   LIG    1        7.973  -0.188   1.305  0.00  0.00    +0.128 C 
ATOM     19  N   LIG    1        7.693  -1.508   1.835  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1        8.449  -1.992   2.305  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        6.776  -2.393   1.320  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        6.954  -3.599   1.465  0.00  0.00    -0.270 OA
ENDBRANCH  12  21
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  23
ATOM     23  C   LIG    1       -2.681  -0.001  -2.162  0.00  0.00    +0.186 C 
ATOM     24  O   LIG    1       -2.384  -0.320  -3.322  0.00  0.00    -0.290 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -4.022   0.514  -1.885  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1       -4.919   0.269  -0.789  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -6.061   1.048  -1.010  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -7.144   1.087  -0.127  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1       -7.075   0.292   1.019  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -5.973  -0.521   1.260  0.00  0.00    +0.001 A 
ATOM     31  N   LIG    1       -5.887   1.704  -2.206  0.00  0.00    -0.360 N 
ATOM     32  H   LIG    1       -6.566   2.329  -2.624  0.00  0.00    +0.165 HD
ATOM     33  C   LIG    1       -4.897  -0.549   0.364  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1       -4.679   1.373  -2.752  0.00  0.00    +0.095 A 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 8