REMARK  Name = BDB007884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.091  -1.044   1.408  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1       -1.876  -1.948   0.620  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -3.104  -1.447   0.389  0.00  0.00    -0.170 NA
ATOM      4  N   LIG    1       -3.124  -0.274   1.039  0.00  0.00    -0.266 N 
ATOM      5  C   LIG    1       -1.952   0.009   1.673  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.511  -3.239   0.039  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.710  -3.467  -1.331  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.382  -4.698  -1.902  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.858  -5.716  -1.107  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -0.669  -5.506   0.257  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -0.999  -4.274   0.830  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   1  14
ATOM     12  N   LIG    1        0.896   0.042   2.156  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        0.438   0.889   1.853  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        0.294  -1.160   1.847  0.00  0.00    +0.248 C 
ATOM     15  O   LIG    1        0.886  -2.231   1.928  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1        2.312   0.128   2.427  0.00  0.00    +0.139 C 
BRANCH  16  20
ATOM     17  C   LIG    1        4.434   1.314  -1.156  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1        4.101   2.261  -0.177  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.423   1.881   0.983  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        3.068   0.543   1.191  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.392  -0.404   0.210  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.071  -0.023  -0.950  0.00  0.00    +0.005 A 
BRANCH  17  23
ATOM     23  C   LIG    1        5.157   1.732  -2.410  0.00  0.00    +0.113 C 
BRANCH  23  24
ATOM     24  N   LIG    1        6.475   2.281  -2.111  0.00  0.00    -0.326 NA
ATOM     25  H   LIG    1        7.004   1.585  -1.587  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1        6.978   2.429  -2.983  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH  16  20
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   4  27
ATOM     27  C   LIG    1       -4.337   0.534   1.041  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.144   1.838   0.306  0.00  0.00    -0.026 A 
ATOM     29  C   LIG    1       -4.218   3.061   0.988  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.038   4.265   0.304  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.785   4.258  -1.067  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.713   3.050  -1.756  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.894   1.845  -1.075  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 8