REMARK  Name = BDB000947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.954   1.062  -2.806  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -2.447  -0.181  -2.406  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -3.127  -1.374  -2.625  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -2.425  -2.442  -2.120  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -1.317  -1.934  -1.622  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -4.364  -1.351  -3.288  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -4.877  -0.124  -3.725  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -1.281  -0.571  -1.802  0.00  0.00    -0.341 N 
ATOM      9  H   LIG    1       -0.513   0.027  -1.518  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -4.179   1.064  -3.491  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -1.518   2.418  -1.398  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -1.773   1.838  -0.609  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -1.206   3.356  -1.173  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -2.253   2.337  -2.551  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -2.362   3.296  -3.302  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  C   LIG    1       -0.203  -2.682  -0.948  0.00  0.00    +0.070 C 
ATOM     17  C   LIG    1        0.198  -2.031   0.378  0.00  0.00    +0.095 C 
ATOM     18  N   LIG    1        1.161  -1.002  -0.055  0.00  0.00    -0.301 NA
ATOM     19  C   LIG    1        2.023  -1.699  -1.020  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        1.087  -2.644  -1.774  0.00  0.00    +0.028 C 
BRANCH  18  21
ATOM     21  C   LIG    1        1.941  -0.429   1.051  0.00  0.00    +0.089 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.089   0.470   1.961  0.00  0.00    +0.050 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.923   1.131   3.032  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        2.583   2.340   2.772  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        3.367   2.942   3.757  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.502   2.340   5.007  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        2.855   1.135   5.273  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.070   0.531   4.290  0.00  0.00    +0.003 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   5  16
TORSDOF 5