REMARK  Name = BDB034755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.073  -0.771  -1.407  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.218  -0.759  -0.859  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.807  -1.994  -1.126  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        2.086  -2.288  -0.711  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.777  -1.292  -0.008  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.193  -0.033   0.276  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -0.117  -2.770  -1.834  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.101  -4.113  -2.287  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.886   0.233  -0.168  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -1.301  -2.025  -2.017  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -2.321  -2.391  -2.580  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.894   0.991   0.947  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.277   1.630   1.447  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.276   1.262   1.065  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        4.802   1.891   2.210  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.175   2.085   2.278  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        6.956   2.839   3.617  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        7.049   1.709   1.317  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        6.529   1.110   0.231  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        5.175   0.866   0.067  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.950   2.314   3.275  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        3.210   2.655   4.102  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -2.034   0.306  -1.329  0.00  0.00    +0.145 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.759   0.408   0.050  0.00  0.00    +0.076 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.361   1.758   0.143  0.00  0.00    -0.304 NA
ATOM     26  C   LIG    1       -4.645   1.909  -0.534  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1       -3.405   2.293   1.500  0.00  0.00    +0.104 C 
ENDBRANCH  24  25
BRANCH  24  29
ATOM     28  C   LIG    1       -4.351  -0.905   1.620  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -3.695  -0.811   0.251  0.00  0.00    +0.017 C 
ENDBRANCH  24  29
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7