REMARK  Name = BDB003226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.239  -1.260   0.033  0.00  0.00    +0.181 A 
ATOM      2  N   LIG    1       -1.254  -2.134   0.060  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -2.479  -1.637  -0.113  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -2.716  -0.330  -0.315  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -1.691   0.539  -0.355  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -0.406   0.090  -0.188  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.547  -2.495  -0.063  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1       -3.338  -3.929  -0.124  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -4.762  -4.469  -0.222  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -5.461  -3.416  -1.070  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1       -4.837  -2.098  -0.603  0.00  0.00    +0.108 C 
ENDBRANCH   3   7
BRANCH   5  12
ATOM     12  N   LIG    1       -1.977   1.861  -0.581  0.00  0.00    -0.315 N 
ATOM     13  C   LIG    1       -1.022   2.955  -0.589  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1       -1.861   4.154  -1.026  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -3.232   3.841  -0.445  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -3.357   2.329  -0.629  0.00  0.00    +0.106 C 
ENDBRANCH   5  12
BRANCH   1  18
ATOM     17  N   LIG    1        1.625  -1.345   1.181  0.00  0.00    -0.181 NA
ATOM     18  N   LIG    1        1.041  -1.827   0.185  0.00  0.00    -0.134 NA
BRANCH  17  19
ATOM     19  C   LIG    1        2.982  -1.883   1.353  0.00  0.00    +0.201 C 
BRANCH  19  23
ATOM     20  C   LIG    1        5.934   1.156   0.477  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        5.445   0.327  -0.535  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        4.497  -0.659  -0.254  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        4.028  -0.837   1.053  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1        4.510   0.005   2.063  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.460   0.992   1.779  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.403   2.929   1.065  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.856   2.078   0.066  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  18
TORSDOF 6