REMARK  Name = BDB012619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.404   1.140  -1.207  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -0.238   0.446  -1.031  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.681   1.381  -0.592  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.088   2.625  -0.526  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.155   2.449  -0.909  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.077   1.116  -0.258  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.946   2.136  -0.457  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.242   1.917  -0.161  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.725   0.718   0.329  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        3.828  -0.331   0.539  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        2.479  -0.123   0.237  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.314  -1.596   1.060  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        5.643  -1.873   1.267  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        5.744  -3.105   1.749  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        4.503  -3.597   1.849  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        4.379  -4.537   2.207  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        3.571  -2.695   1.429  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.664   0.608  -1.696  0.00  0.00    +0.159 C 
BRANCH  18  23
ATOM     19 CL   LIG    1       -4.673  -2.576   2.071  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1       -4.565  -1.092   1.187  0.00  0.00    +0.060 A 
ATOM     21  C   LIG    1       -3.665  -0.910   0.122  0.00  0.00    +0.064 A 
ATOM     22 CL   LIG    1       -2.615  -2.207  -0.358  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -3.624   0.324  -0.562  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1       -4.497   1.351  -0.152  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -5.387   1.162   0.904  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.421  -0.058   1.573  0.00  0.00    +0.021 A 
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4