REMARK  Name = BDB029655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.721  -0.861   0.117  0.00  0.00    -0.040 C 
ATOM      2  C   LIG    1       -2.526  -1.674  -1.141  0.00  0.00    +0.051 C 
ATOM      3  C   LIG    1       -1.331  -2.637  -1.040  0.00  0.00    +0.089 C 
ATOM      4  N   LIG    1       -0.143  -1.937  -0.529  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1       -0.388  -1.457   0.843  0.00  0.00    +0.112 C 
ATOM      6  C   LIG    1       -1.722  -0.781   1.017  0.00  0.00    -0.007 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -6.440   1.107   0.591  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1       -5.872   1.086  -0.647  0.00  0.00    -0.250 NA
ATOM      9  C   LIG    1       -4.678   0.451  -0.746  0.00  0.00    +0.119 A 
ATOM     10  C   LIG    1       -4.009  -0.167   0.314  0.00  0.00    -0.004 A 
ATOM     11  C   LIG    1       -4.638  -0.121   1.564  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -5.866   0.525   1.712  0.00  0.00    +0.033 A 
BRANCH   7  16
ATOM     13  C   LIG    1       -9.412   3.141  -0.554  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1       -8.235   2.321  -0.483  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -7.604   2.252  -1.278  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -7.759   1.811   0.707  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1       -8.337   1.918   1.782  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.040  -2.810  -0.590  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.337  -2.081  -0.336  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1        2.672  -0.916  -1.039  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.887  -0.297  -0.778  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1        4.737  -0.858   0.166  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        6.013  -0.207   0.439  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        6.411   0.923  -0.185  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        5.454   1.512  -1.213  0.00  0.00    +0.253 A 
ATOM     26  O   LIG    1        5.731   2.539  -1.830  0.00  0.00    -0.268 OA
ATOM     27  N   LIG    1        4.454  -1.984   0.855  0.00  0.00    -0.253 NA
ATOM     28  N   LIG    1        4.266   0.870  -1.441  0.00  0.00    -0.321 N 
ATOM     29  H   LIG    1        3.657   1.294  -2.128  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1        3.264  -2.569   0.585  0.00  0.00    +0.116 A 
BRANCH  24  31
ATOM     31  C   LIG    1        7.702   1.620   0.063  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1        8.957   0.842   0.366  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        8.307   1.665   1.443  0.00  0.00    +0.009 C 
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5