REMARK  Name = BDB005629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.542   0.259   1.193  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        2.344  -0.324   0.197  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        1.681  -1.045  -0.810  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1        2.416  -1.690  -1.808  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        1.967  -2.235  -2.532  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        3.779  -1.668  -1.885  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1        4.497  -0.887  -0.847  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        6.000  -0.837  -0.953  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        6.670  -0.298   0.317  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        5.905   0.899   0.870  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1        4.513   0.521   1.065  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        3.935   1.227   1.522  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1        4.364  -2.258  -2.787  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.282  -1.140  -0.855  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -0.506  -0.500   0.110  0.00  0.00    -0.058 A 
ATOM     16  C   LIG    1        3.828  -0.240   0.129  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.142   0.188   1.143  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        2.263   0.153   3.375  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        2.078   0.991   2.226  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1       -2.015  -0.552   0.047  0.00  0.00    -0.039 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.721   0.574  -0.753  0.00  0.00    +0.381 N 
ATOM     22  C   LIG    1       -2.363   0.447  -2.240  0.00  0.00    -0.091 C 
ATOM     23  C   LIG    1       -2.237   1.955  -0.289  0.00  0.00    -0.091 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.258   0.528  -0.621  0.00  0.00    -0.066 C 
ATOM     25  C   LIG    1       -4.896  -0.810  -0.991  0.00  0.00    -0.015 C 
ATOM     26  C   LIG    1       -6.308  -0.644  -0.445  0.00  0.00    -0.002 C 
ATOM     27  C   LIG    1       -6.107   0.050   0.898  0.00  0.00    -0.002 C 
ATOM     28  C   LIG    1       -4.794   0.833   0.784  0.00  0.00    -0.015 C 
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 4