REMARK  Name = BDB008501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.504  -0.784  -0.807  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1       -0.320   0.152  -1.447  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.635   0.359  -1.021  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -2.154  -0.367   0.060  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -1.337  -1.301   0.709  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -0.020  -1.503   0.278  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.498  -0.139   0.476  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1       -4.275   0.766  -0.177  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1       -5.460   0.784   0.455  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1       -5.420  -0.189   1.517  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -6.437  -0.521   2.405  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -7.600   0.234   2.159  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -7.704   1.213   1.123  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -6.642   1.523   0.233  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -4.176  -0.752   1.508  0.00  0.00    +0.123 A 
BRANCH  14  16
ATOM     16  C   LIG    1       -6.761   2.549  -0.813  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -5.851   3.306  -1.117  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1       -7.975   2.628  -1.444  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -8.002   3.239  -2.251  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -8.632   1.861  -1.420  0.00  0.00    +0.145 HD
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   1  23
ATOM     21  N   LIG    1        4.305  -0.749  -0.623  0.00  0.00    -0.302 NA
ATOM     22  C   LIG    1        2.935  -0.348  -0.281  0.00  0.00    +0.092 C 
ATOM     23  C   LIG    1        1.937  -0.976  -1.283  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1        2.280  -2.446  -1.609  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        3.236  -3.043  -0.584  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1        4.504  -2.195  -0.414  0.00  0.00    +0.084 C 
BRANCH  21  27
ATOM     27  C   LIG    1        5.336   0.020   0.097  0.00  0.00    +0.085 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.493   1.446  -0.451  0.00  0.00    +0.030 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.556   2.254   0.298  0.00  0.00    +0.079 C 
BRANCH  29  30
ATOM     30  N   LIG    1        7.893   1.691   0.150  0.00  0.00    -0.330 NA
ATOM     31  H   LIG    1        8.572   2.315   0.585  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1        8.138   1.650  -0.839  0.00  0.00    +0.118 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH   1  23
TORSDOF 7