REMARK  Name = BDB007495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.950   2.227   2.715  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.233   1.854   1.792  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.059   1.450   2.030  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.267   1.431   3.025  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.772   1.811   0.416  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -3.017   1.199   0.209  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -3.593   1.154  -1.063  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -2.857   1.702  -2.127  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -1.628   2.338  -1.923  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.088   2.406  -0.644  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -4.788   0.495  -1.361  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1       -5.217   0.866  -2.206  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -5.747   0.106  -0.317  0.00  0.00    +0.075 C 
ATOM     14  C   LIG    1       -7.180   0.150  -0.879  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1       -7.610  -1.226  -1.361  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1       -7.638  -2.186  -0.305  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -6.647  -2.003   0.706  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1       -5.400  -1.299   0.197  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        0.823   0.510   1.214  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.158   0.157   1.890  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.898  -0.337   3.217  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        1.278  -1.083   3.142  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.953  -0.909   1.102  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.220  -0.562  -0.304  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.231   0.504  -0.453  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.664   0.067  -0.232  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.039  -1.280  -0.381  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.379  -1.653  -0.208  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.345  -0.692   0.089  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.979   0.646   0.220  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.996  -2.333  -0.660  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        6.647   1.025   0.057  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        3.649  -1.734  -1.091  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8